 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer08_STD_M11_augccpVDZ.in
 Output=30_ibuprofen_conformer08_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-16785.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     16808.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer08_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer08_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.659259000000     -0.321312000000     -1.242193000000
  C                                                 1.490963000000     -0.745946000000     -0.207237000000
  C                                                -0.718090000000     -0.258894000000     -1.081887000000
  C                                                -1.309776000000     -0.623337000000      0.126200000000
  C                                                -0.482719000000     -1.046352000000      1.164346000000
  C                                                 0.893763000000     -1.109729000000      0.998704000000
  C                                                 2.987238000000     -0.775646000000     -0.362525000000
  C                                                 3.710480000000      0.390606000000      0.339713000000
  C                                                 3.287383000000      1.743851000000     -0.228396000000
  C                                                 5.224362000000      0.205410000000      0.249886000000
  C                                                -2.815068000000     -0.572574000000      0.328715000000
  C                                                -3.274676000000      0.873485000000      0.381112000000
  O                                                -3.494906000000      1.491243000000      1.389409000000
  O                                                -3.402223000000      1.428965000000     -0.848305000000
  H                                                 1.098199000000     -0.031355000000     -2.189320000000
  H                                                -1.334062000000      0.086297000000     -1.901266000000
  H                                                -0.922428000000     -1.331954000000      2.112188000000
  H                                                 1.513624000000     -1.448846000000      1.820517000000
  H                                                 3.246499000000     -0.759051000000     -1.425314000000
  H                                                 3.374941000000     -1.715698000000      0.040233000000
  H                                                 3.424573000000      0.363197000000      1.397105000000
  H                                                 2.212629000000      1.900857000000     -0.133760000000
  H                                                 3.544429000000      1.813495000000     -1.289511000000
  H                                                 3.795064000000      2.559094000000      0.290594000000
  H                                                 5.554471000000      0.218287000000     -0.792668000000
  H                                                 5.536289000000     -0.745777000000      0.686569000000
  H                                                 5.750693000000      1.005637000000      0.773849000000
  H                                                -3.026818000000     -0.959937000000      1.324718000000
  C                                                -3.586088000000     -1.398877000000     -0.707092000000
  H                                                -3.660581000000      2.353748000000     -0.711548000000
  H                                                -3.405320000000     -1.038742000000     -1.718004000000
  H                                                -4.660002000000     -1.355147000000     -0.518665000000
  H                                                -3.267355000000     -2.439875000000     -0.650623000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.659259   -0.321312   -1.242193
      2          6           0        1.490963   -0.745946   -0.207237
      3          6           0       -0.718090   -0.258894   -1.081887
      4          6           0       -1.309776   -0.623337    0.126200
      5          6           0       -0.482719   -1.046352    1.164346
      6          6           0        0.893763   -1.109729    0.998704
      7          6           0        2.987238   -0.775646   -0.362525
      8          6           0        3.710480    0.390606    0.339713
      9          6           0        3.287383    1.743851   -0.228396
     10          6           0        5.224362    0.205410    0.249886
     11          6           0       -2.815068   -0.572574    0.328715
     12          6           0       -3.274676    0.873485    0.381112
     13          8           0       -3.494906    1.491243    1.389409
     14          8           0       -3.402223    1.428965   -0.848305
     15          1           0        1.098199   -0.031355   -2.189320
     16          1           0       -1.334062    0.086297   -1.901266
     17          1           0       -0.922428   -1.331954    2.112188
     18          1           0        1.513624   -1.448846    1.820517
     19          1           0        3.246499   -0.759051   -1.425314
     20          1           0        3.374941   -1.715698    0.040233
     21          1           0        3.424573    0.363197    1.397105
     22          1           0        2.212629    1.900857   -0.133760
     23          1           0        3.544429    1.813495   -1.289511
     24          1           0        3.795064    2.559094    0.290594
     25          1           0        5.554471    0.218287   -0.792668
     26          1           0        5.536289   -0.745777    0.686569
     27          1           0        5.750693    1.005637    0.773849
     28          1           0       -3.026818   -0.959937    1.324718
     29          6           0       -3.586088   -1.398877   -0.707092
     30          1           0       -3.660581    2.353748   -0.711548
     31          1           0       -3.405320   -1.038742   -1.718004
     32          1           0       -4.660002   -1.355147   -0.518665
     33          1           0       -3.267355   -2.439875   -0.650623
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.393980   0.000000
     3  C    1.388051   2.425314   0.000000
     4  C    2.416778   2.823181   1.393695   0.000000
     5  C    2.760657   2.422169   2.391872   1.393094   0.000000
     6  C    2.387093   1.394016   2.766017   2.419385   1.387860
     7  C    2.529767   1.504605   3.809720   4.327399   3.800687
     8  C    3.509872   2.552873   4.696278   5.126074   4.508635
     9  C    3.492810   3.070287   4.558865   5.182971   4.892712
    10  C    4.831553   3.879730   6.107531   6.587646   5.913875
    11  C    3.821234   4.342719   2.546666   1.519702   2.522419
    12  C    4.420238   5.067546   3.155754   2.483201   3.477679
    13  O    5.240970   5.693258   4.108648   3.292710   3.945036
    14  O    4.440074   5.393002   3.179308   3.088679   4.324519
    15  H    1.083417   2.143258   2.139413   3.392701   3.844034
    16  H    2.138656   3.397518   1.081647   2.148206   3.377226
    17  H    3.843827   3.398175   3.375697   2.143904   1.083198
    18  H    3.373643   2.146245   3.849738   3.394667   2.139614
    19  H    2.630392   2.136771   4.010744   4.815107   4.549280
    20  H    3.311172   2.133315   4.487130   4.811155   4.073475
    21  H    3.883479   2.746445   4.867654   5.000251   4.160281
    22  H    2.929098   2.744406   3.761992   4.341252   4.199526
    23  H    3.589407   3.455254   4.744151   5.612993   5.515257
    24  H    4.525422   4.059557   5.494845   6.017830   5.662341
    25  H    4.945335   4.217176   6.297330   6.976427   6.471235
    26  H    5.261722   4.142892   6.517802   6.870052   6.045418
    27  H    5.634529   4.709127   6.847478   7.274835   6.574083
    28  H    4.536963   4.775251   3.407849   2.120844   2.550613
    29  C    4.412533   5.143211   3.108930   2.545080   3.641079
    30  H    5.108674   6.033311   3.952379   3.884732   5.017815
    31  H    4.154745   5.132420   2.869497   2.822225   4.104826
    32  H    5.466886   6.188900   4.130092   3.489328   4.514153
    33  H    4.500729   5.070264   3.382517   2.781255   3.604194
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.519364   0.000000
     8  C    3.258707   1.541545   0.000000
     9  C    3.921493   2.540855   1.527426   0.000000
    10  C    4.587418   2.518381   1.527811   2.519413   0.000000
    11  C    3.806947   5.846863   6.596258   6.551039   8.077370
    12  C    4.657300   6.517990   7.001949   6.647530   8.526265
    13  O    5.116456   7.087048   7.364160   6.977145   8.886929
    14  O    5.320893   6.776541   7.285610   6.725643   8.781861
    15  H    3.371673   2.731230   3.660338   3.433527   4.799063
    16  H    3.847533   4.667366   5.528290   5.186881   6.903229
    17  H    2.141910   4.660383   5.250973   5.715017   6.604141
    18  H    1.083792   2.718531   3.225297   4.187789   4.355803
    19  H    3.396205   1.094080   2.156921   2.774672   2.765578
    20  H    2.728023   1.093721   2.153785   3.471067   2.674877
    21  H    2.955204   2.141150   1.095706   2.137120   2.140152
    22  H    3.476422   2.795715   2.179127   1.090277   3.477393
    23  H    4.561491   2.805961   2.169460   1.094024   2.788881
    24  H    4.730669   3.492798   2.170693   1.091656   2.753975
    25  H    5.166705   2.786326   2.170779   2.790239   1.093644
    26  H    4.667219   2.756656   2.178360   3.477497   1.092130
    27  H    5.302368   3.478649   2.174674   2.759955   1.091753
    28  H    3.936963   6.248970   6.941569   7.042142   8.402099
    29  C    4.802334   6.611789   7.585378   7.573011   9.006307
    30  H    5.971824   7.355843   7.700105   6.991396   9.191405
    31  H    5.086026   6.539980   7.543994   7.399597   8.938228
    32  H    5.762547   7.670755   8.593569   8.535161  10.036267
    33  H    4.669526   6.478626   7.594904   7.787582   8.939670
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.518246   0.000000
    13  O    2.417973   1.202825   0.000000
    14  O    2.395054   1.355099   2.240498   0.000000
    15  H    4.684771   5.152465   6.018490   4.917790   0.000000
    16  H    2.756865   3.097563   4.179912   2.681189   2.452083
    17  H    2.709155   3.659734   3.887222   4.747270   4.927216
    18  H    4.661641   5.512978   5.823689   6.290466   4.273248
    19  H    6.313001   6.960896   7.644150   7.023237   2.393416
    20  H    6.301283   7.144052   7.700620   7.523853   3.604368
    21  H    6.399238   6.795040   7.010830   7.265182   4.293033
    22  H    5.622231   5.606345   5.921468   5.679773   3.033270
    23  H    6.982491   7.083417   7.538746   6.971262   3.193301
    24  H    7.314550   7.268473   7.449252   7.373956   4.487035
    25  H    8.481282   8.930895   9.395377   9.038319   4.676678
    26  H    8.360815   8.963728   9.330634   9.326432   5.336458
    27  H    8.721305   9.034876   9.278784   9.305185   5.612613
    28  H    1.089454   2.076839   2.496312   3.251125   5.497863
    29  C    1.533018   2.538660   3.571614   2.837329   5.099967
    30  H    3.218757   1.879896   2.277144   0.969884   5.524356
    31  H    2.180543   2.842528   4.008100   2.616479   4.638820
    32  H    2.175834   2.774081   3.619410   3.072776   6.140065
    33  H    2.156497   3.470286   4.434772   3.876234   5.217913
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276528   0.000000
    18  H    4.931293   2.456234   0.000000
    19  H    4.682166   5.497462   3.743540   0.000000
    20  H    5.402899   4.786192   2.589425   1.754850   0.000000
    21  H    5.796597   4.720307   2.667303   3.042565   2.483016
    22  H    4.358408   5.032289   3.940599   3.132429   3.802724
    23  H    5.211250   6.435699   4.943613   2.593299   3.775202
    24  H    6.101386   6.380689   4.858932   3.775626   4.302677
    25  H    6.978417   7.265787   5.092790   2.584988   3.030573
    26  H    7.388570   6.640107   4.238157   3.115022   2.455590
    27  H    7.628577   7.196251   5.007270   3.771131   3.686198
    28  H    3.790383   2.277490   4.593524   6.852557   6.572944
    29  C    2.950155   3.879163   5.691956   6.899961   7.008195
    30  H    3.459690   5.390303   6.902425   7.609647   8.162361
    31  H    2.364193   4.573959   6.073329   6.664127   7.037159
    32  H    3.879591   4.570709   6.602591   7.980608   8.062424
    33  H    3.418081   3.789366   5.472333   6.771677   6.717277
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.485308   0.000000
    23  H    3.055427   1.765526   0.000000
    24  H    2.486683   1.765631   1.765069   0.000000
    25  H    3.058197   3.799093   2.613773   3.122234   0.000000
    26  H    2.488781   4.327162   3.797667   3.756439   1.765755
    27  H    2.492391   3.760727   3.126930   2.543865   1.764199
    28  H    6.586074   6.145169   7.596539   7.745390   8.916841
    29  C    7.528739   6.696422   7.842373   8.434590   9.282907
    30  H    7.655594   5.918914   7.248316   7.525497   9.459596
    31  H    7.636542   6.535474   7.524485   8.296048   9.094736
    32  H    8.484293   7.614642   8.828770   9.352236  10.338580
    33  H    7.538720   7.009945   8.056037   8.703640   9.214696
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766646   0.000000
    28  H    8.589523   9.011750   0.000000
    29  C    9.251302   9.754504   2.152604   0.000000
    30  H    9.805315   9.622676   3.940627   3.753367   0.000000
    31  H    9.263918   9.706770   3.067186   1.088263   3.547830
    32  H   10.285343  10.752975   2.494302   1.091196   3.846030
    33  H    9.064337   9.758374   2.479929   1.090163   4.810110
                   31         32         33
    31  H    0.000000
    32  H    1.764300   0.000000
    33  H    1.766780   1.770173   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.06D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.659259   -0.321312   -1.242193
      2          6           0        1.490963   -0.745946   -0.207237
      3          6           0       -0.718090   -0.258894   -1.081887
      4          6           0       -1.309776   -0.623337    0.126200
      5          6           0       -0.482719   -1.046352    1.164346
      6          6           0        0.893763   -1.109729    0.998704
      7          6           0        2.987238   -0.775646   -0.362525
      8          6           0        3.710480    0.390606    0.339713
      9          6           0        3.287383    1.743851   -0.228396
     10          6           0        5.224362    0.205410    0.249886
     11          6           0       -2.815068   -0.572574    0.328715
     12          6           0       -3.274676    0.873485    0.381112
     13          8           0       -3.494906    1.491243    1.389409
     14          8           0       -3.402223    1.428965   -0.848305
     15          1           0        1.098199   -0.031355   -2.189320
     16          1           0       -1.334062    0.086297   -1.901266
     17          1           0       -0.922428   -1.331954    2.112188
     18          1           0        1.513624   -1.448846    1.820517
     19          1           0        3.246499   -0.759051   -1.425314
     20          1           0        3.374941   -1.715698    0.040233
     21          1           0        3.424573    0.363197    1.397105
     22          1           0        2.212629    1.900857   -0.133760
     23          1           0        3.544429    1.813495   -1.289511
     24          1           0        3.795064    2.559094    0.290594
     25          1           0        5.554471    0.218287   -0.792668
     26          1           0        5.536289   -0.745777    0.686569
     27          1           0        5.750693    1.005637    0.773849
     28          1           0       -3.026818   -0.959937    1.324718
     29          6           0       -3.586088   -1.398877   -0.707092
     30          1           0       -3.660581    2.353748   -0.711548
     31          1           0       -3.405320   -1.038742   -1.718004
     32          1           0       -4.660002   -1.355147   -0.518665
     33          1           0       -3.267355   -2.439875   -0.650623
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3410822           0.2605989           0.2498493
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       972.6785235907 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:              16.9 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.12D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.78D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:              10.6 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:43 2021, MaxMem=  6442450944 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer08_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:44 2021, MaxMem=  6442450944 cpu:              10.0 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.371875044228    
 DIIS: error= 3.15D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.371875044228     IErMin= 1 ErrMin= 3.15D-03
 ErrMax= 3.15D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-02 BMatP= 1.88D-02
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.15D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.388 Goal=   None    Shift=    0.000
 GapD=    0.388 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.27D-02 MaxDP=1.10D+01              OVMax= 1.87D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.78D-02    CP:  2.29D+00
 E= -656.389770785138     Delta-E=       -0.017895740911 Rises=F Damp=F
 DIIS: error= 7.57D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.389770785138     IErMin= 2 ErrMin= 7.57D-04
 ErrMax= 7.57D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.01D-04 BMatP= 1.88D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.57D-03
 Coeff-Com: -0.175D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.173D-01 0.102D+01
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.85D-02 MaxDP=2.37D+00 DE=-1.79D-02 OVMax= 8.21D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.67D-03    CP:  2.55D+00  1.19D+00
 E= -656.390188888585     Delta-E=       -0.000418103447 Rises=F Damp=F
 DIIS: error= 7.93D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.390188888585     IErMin= 2 ErrMin= 7.57D-04
 ErrMax= 7.93D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.00D-04 BMatP= 7.01D-04
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.93D-03
 Coeff-Com: -0.457D-01 0.504D+00 0.542D+00
 Coeff-En:   0.000D+00 0.155D+00 0.845D+00
 Coeff:     -0.453D-01 0.501D+00 0.544D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.85D-03 MaxDP=2.46D-01 DE=-4.18D-04 OVMax= 4.06D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.43D-04    CP:  2.58D+00  1.21D+00  1.11D+00
 E= -656.390582677203     Delta-E=       -0.000393788618 Rises=F Damp=F
 DIIS: error= 1.31D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.390582677203     IErMin= 4 ErrMin= 1.31D-04
 ErrMax= 1.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-05 BMatP= 6.00D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.31D-03
 Coeff-Com: -0.917D-02 0.347D-01 0.131D+00 0.843D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.916D-02 0.346D-01 0.131D+00 0.843D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=4.96D-04 MaxDP=6.68D-02 DE=-3.94D-04 OVMax= 1.11D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.16D-04    CP:  2.59D+00  1.21D+00  1.17D+00  1.38D+00
 E= -656.390596160828     Delta-E=       -0.000013483625 Rises=F Damp=F
 DIIS: error= 7.66D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.390596160828     IErMin= 5 ErrMin= 7.66D-05
 ErrMax= 7.66D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.04D-06 BMatP= 1.67D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.132D-02-0.478D-01-0.871D-02 0.427D+00 0.628D+00
 Coeff:      0.132D-02-0.478D-01-0.871D-02 0.427D+00 0.628D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=8.05D-05 MaxDP=6.84D-03 DE=-1.35D-05 OVMax= 5.70D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.85D-05    CP:  2.59D+00  1.21D+00  1.18D+00  1.52D+00  1.27D+00
 E= -656.390601054198     Delta-E=       -0.000004893370 Rises=F Damp=F
 DIIS: error= 1.79D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.390601054198     IErMin= 6 ErrMin= 1.79D-05
 ErrMax= 1.79D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.56D-07 BMatP= 6.04D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.149D-02-0.214D-01-0.192D-01 0.676D-01 0.233D+00 0.738D+00
 Coeff:      0.149D-02-0.214D-01-0.192D-01 0.676D-01 0.233D+00 0.738D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=3.44D-05 MaxDP=2.98D-03 DE=-4.89D-06 OVMax= 1.55D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.12D-05    CP:  2.59D+00  1.21D+00  1.18D+00  1.54D+00  1.35D+00
                    CP:  1.20D+00
 E= -656.390601384286     Delta-E=       -0.000000330088 Rises=F Damp=F
 DIIS: error= 3.93D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.390601384286     IErMin= 7 ErrMin= 3.93D-06
 ErrMax= 3.93D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-08 BMatP= 3.56D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.233D-03-0.176D-03-0.411D-02-0.295D-01-0.258D-02 0.202D+00
 Coeff-Com:  0.834D+00
 Coeff:      0.233D-03-0.176D-03-0.411D-02-0.295D-01-0.258D-02 0.202D+00
 Coeff:      0.834D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.99D-05 MaxDP=2.47D-03 DE=-3.30D-07 OVMax= 4.68D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.38D-06    CP:  2.59D+00  1.21D+00  1.18D+00  1.54D+00  1.36D+00
                    CP:  1.23D+00  1.23D+00
 E= -656.390601419076     Delta-E=       -0.000000034790 Rises=F Damp=F
 DIIS: error= 9.60D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.390601419076     IErMin= 8 ErrMin= 9.60D-07
 ErrMax= 9.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.70D-09 BMatP= 2.38D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.716D-04 0.169D-02 0.741D-03-0.122D-01-0.190D-01-0.284D-01
 Coeff-Com:  0.157D+00 0.900D+00
 Coeff:     -0.716D-04 0.169D-02 0.741D-03-0.122D-01-0.190D-01-0.284D-01
 Coeff:      0.157D+00 0.900D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=6.27D-06 MaxDP=7.84D-04 DE=-3.48D-08 OVMax= 1.90D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.85D-06    CP:  2.59D+00  1.21D+00  1.18D+00  1.54D+00  1.37D+00
                    CP:  1.26D+00  1.25D+00  1.12D+00
 E= -656.390601421911     Delta-E=       -0.000000002834 Rises=F Damp=F
 DIIS: error= 3.37D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.390601421911     IErMin= 9 ErrMin= 3.37D-07
 ErrMax= 3.37D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.69D-10 BMatP= 1.70D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.427D-04 0.603D-03 0.613D-03-0.214D-02-0.578D-02-0.271D-01
 Coeff-Com: -0.109D-01 0.306D+00 0.739D+00
 Coeff:     -0.427D-04 0.603D-03 0.613D-03-0.214D-02-0.578D-02-0.271D-01
 Coeff:     -0.109D-01 0.306D+00 0.739D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.05D-06 MaxDP=1.33D-04 DE=-2.83D-09 OVMax= 5.25D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.27D-07    CP:  2.59D+00  1.21D+00  1.18D+00  1.54D+00  1.37D+00
                    CP:  1.26D+00  1.27D+00  1.17D+00  1.09D+00
 E= -656.390601422265     Delta-E=       -0.000000000354 Rises=F Damp=F
 DIIS: error= 1.43D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.390601422265     IErMin=10 ErrMin= 1.43D-07
 ErrMax= 1.43D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.77D-11 BMatP= 2.69D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.396D-05-0.417D-04 0.112D-03 0.981D-03 0.124D-02-0.507D-02
 Coeff-Com: -0.253D-01-0.295D-01 0.243D+00 0.815D+00
 Coeff:     -0.396D-05-0.417D-04 0.112D-03 0.981D-03 0.124D-02-0.507D-02
 Coeff:     -0.253D-01-0.295D-01 0.243D+00 0.815D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.01D-06 MaxDP=1.37D-04 DE=-3.54D-10 OVMax= 3.22D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.17D-07    CP:  2.59D+00  1.21D+00  1.18D+00  1.54D+00  1.36D+00
                    CP:  1.26D+00  1.27D+00  1.19D+00  1.15D+00  1.19D+00
 E= -656.390601422416     Delta-E=       -0.000000000151 Rises=F Damp=F
 DIIS: error= 5.40D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.390601422416     IErMin=11 ErrMin= 5.40D-08
 ErrMax= 5.40D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.80D-12 BMatP= 3.77D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.392D-05-0.891D-04-0.350D-04 0.561D-03 0.124D-02 0.160D-02
 Coeff-Com: -0.645D-02-0.483D-01-0.196D-01 0.262D+00 0.809D+00
 Coeff:      0.392D-05-0.891D-04-0.350D-04 0.561D-03 0.124D-02 0.160D-02
 Coeff:     -0.645D-02-0.483D-01-0.196D-01 0.262D+00 0.809D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=2.55D-07 MaxDP=3.28D-05 DE=-1.51D-10 OVMax= 9.74D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.90D-08    CP:  2.59D+00  1.21D+00  1.18D+00  1.54D+00  1.36D+00
                    CP:  1.26D+00  1.27D+00  1.19D+00  1.17D+00  1.31D+00
                    CP:  1.17D+00
 E= -656.390601422371     Delta-E=        0.000000000045 Rises=F Damp=F
 DIIS: error= 1.55D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -656.390601422416     IErMin=12 ErrMin= 1.55D-08
 ErrMax= 1.55D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.63D-13 BMatP= 4.80D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-05-0.118D-04-0.203D-04-0.302D-04 0.124D-03 0.889D-03
 Coeff-Com:  0.215D-02-0.607D-02-0.365D-01-0.500D-01 0.166D+00 0.923D+00
 Coeff:      0.124D-05-0.118D-04-0.203D-04-0.302D-04 0.124D-03 0.889D-03
 Coeff:      0.215D-02-0.607D-02-0.365D-01-0.500D-01 0.166D+00 0.923D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=4.38D-08 MaxDP=4.81D-06 DE= 4.50D-11 OVMax= 4.42D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.23D-08    CP:  2.59D+00  1.21D+00  1.18D+00  1.54D+00  1.36D+00
                    CP:  1.26D+00  1.27D+00  1.19D+00  1.17D+00  1.34D+00
                    CP:  1.27D+00  1.28D+00
 E= -656.390601422423     Delta-E=       -0.000000000053 Rises=F Damp=F
 DIIS: error= 5.67D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -656.390601422423     IErMin=13 ErrMin= 5.67D-09
 ErrMax= 5.67D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.42D-14 BMatP= 4.63D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.260D-06 0.886D-05 0.533D-06-0.790D-04-0.115D-03-0.273D-04
 Coeff-Com:  0.132D-02 0.468D-02-0.559D-02-0.434D-01-0.674D-01 0.195D+00
 Coeff-Com:  0.915D+00
 Coeff:     -0.260D-06 0.886D-05 0.533D-06-0.790D-04-0.115D-03-0.273D-04
 Coeff:      0.132D-02 0.468D-02-0.559D-02-0.434D-01-0.674D-01 0.195D+00
 Coeff:      0.915D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=2.80D-08 MaxDP=4.67D-06 DE=-5.25D-11 OVMax= 1.90D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  9.14D-09    CP:  2.59D+00  1.21D+00  1.18D+00  1.54D+00  1.36D+00
                    CP:  1.26D+00  1.27D+00  1.19D+00  1.17D+00  1.34D+00
                    CP:  1.30D+00  1.39D+00  1.25D+00
 E= -656.390601422317     Delta-E=        0.000000000106 Rises=F Damp=F
 DIIS: error= 1.98D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -656.390601422423     IErMin=14 ErrMin= 1.98D-09
 ErrMax= 1.98D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.20D-15 BMatP= 5.42D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.217D-06 0.385D-05 0.248D-05-0.208D-04-0.456D-04-0.103D-03
 Coeff-Com:  0.164D-03 0.199D-02 0.212D-02-0.666D-02-0.353D-01-0.450D-01
 Coeff-Com:  0.251D+00 0.832D+00
 Coeff:     -0.217D-06 0.385D-05 0.248D-05-0.208D-04-0.456D-04-0.103D-03
 Coeff:      0.164D-03 0.199D-02 0.212D-02-0.666D-02-0.353D-01-0.450D-01
 Coeff:      0.251D+00 0.832D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=9.97D-09 MaxDP=1.49D-06 DE= 1.06D-10 OVMax= 7.17D-08

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  3.21D-09    CP:  2.59D+00  1.21D+00  1.18D+00  1.54D+00  1.36D+00
                    CP:  1.26D+00  1.27D+00  1.19D+00  1.17D+00  1.34D+00
                    CP:  1.30D+00  1.41D+00  1.37D+00  1.13D+00
 E= -656.390601422324     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 8.93D-10 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=13 EnMin= -656.390601422423     IErMin=15 ErrMin= 8.93D-10
 ErrMax= 8.93D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-15 BMatP= 7.20D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.328D-08-0.553D-06 0.511D-06 0.764D-05 0.744D-05-0.179D-04
 Coeff-Com: -0.174D-03-0.278D-03 0.130D-02 0.549D-02 0.273D-02-0.420D-01
 Coeff-Com: -0.809D-01 0.197D+00 0.917D+00
 Coeff:     -0.328D-08-0.553D-06 0.511D-06 0.764D-05 0.744D-05-0.179D-04
 Coeff:     -0.174D-03-0.278D-03 0.130D-02 0.549D-02 0.273D-02-0.420D-01
 Coeff:     -0.809D-01 0.197D+00 0.917D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=2.24D-09 MaxDP=3.05D-07 DE=-6.59D-12 OVMax= 3.76D-08

 SCF Done:  E(RM11) =  -656.390601422     A.U. after   15 cycles
            NFock= 15  Conv=0.22D-08     -V/T= 2.0066
 KE= 6.520923130854D+02 PE=-3.471677245491D+03 EE= 1.190515807392D+03
 Leave Link  502 at Wed Sep  8 12:57:42 2021, MaxMem=  6442450944 cpu:           13413.1 elap:            1677.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.14833345D+03

 Leave Link  801 at Wed Sep  8 12:57:42 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10248 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 2.24D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 1.99D-01 5.06D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 3.91D-02 5.16D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 5.21D-03 1.40D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 5.97D-04 3.29D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 7.93D-05 1.02D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 4.94D-06 3.07D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 2.58D-07 7.16D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 1.35D-08 1.91D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 5.21D-10 2.41D-06.
      9 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 1.29D-11 4.29D-07.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 3.69D-13 7.41D-08.
      1 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 2.92D-14 1.37D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   128 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.220678D+03
      2 -0.157392D+01  0.139115D+03
      3 -0.507287D+00 -0.674226D+01  0.152890D+03
 Isotropic polarizability for W=    0.088559      170.89 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.261435D+03  0.453264D+02  0.408499D+01
      2  -0.135259D+03 -0.286005D+02  0.213691D+02
      3  -0.126176D+03 -0.167259D+02 -0.254541D+02
      4  -0.348890D+02  0.854324D+02 -0.252469D+02
      5  -0.353118D+00 -0.272080D+02  0.680753D+02
      6  -0.124882D+02  0.149687D+02 -0.336122D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.169182D+01 -0.766751D+01  0.227652D+02
      2   0.113987D+02 -0.835908D+01  0.343817D+02
      3  -0.106003D+03 -0.477562D+02  0.108344D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.196111D+01 -0.640046D+01  0.168863D+02
      2   0.443811D+01 -0.127587D+02  0.194251D+03
      3  -0.802154D+02 -0.220691D+03  0.147198D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.747407D+00 -0.117809D+01  0.128934D+02
      2  -0.117809D+01  0.138164D+01  0.385935D-01
      3   0.128934D+02  0.385935D-01 -0.134549D+01
 OR G Eigenvalues:   -13.2815     1.3659    12.6992  Iso=    -0.2612
 Eigenvectors:
   (1)  -0.678166  -0.056415   0.732740
   (2)   0.016316   0.995648   0.091757
   (3)   0.734728  -0.074181   0.674294
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2612 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      -64.20 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 8.21D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.41D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 3.36D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 5.72D-02 3.57D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 3.15D-03 8.04D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 8.48D-05 1.51D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 2.16D-06 1.88D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 4.42D-08 1.45D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 7.18D-10 2.52D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 9.11D-12 2.36D-07.
     30 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 9.68D-14 2.48D-08.
      9 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 5.14D-15 5.12D-09.
      2 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 3.16D-15 4.69D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   281 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.55D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.55D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.21D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220678D+03 -0.157392D+01 -0.507287D+00
      2  -0.157392D+01  0.139115D+03 -0.674226D+01
      3  -0.507287D+00 -0.674226D+01  0.152890D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.169182D+01 -0.766751D+01  0.227652D+02
      2   0.113987D+02 -0.835908D+01  0.343817D+02
      3  -0.106003D+03 -0.477562D+02  0.108344D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.261435D+03  0.453264D+02  0.408499D+01
      2  -0.135259D+03 -0.286005D+02  0.213691D+02
      3  -0.126176D+03 -0.167259D+02 -0.254541D+02
      4  -0.348890D+02  0.854324D+02 -0.252469D+02
      5  -0.353118D+00 -0.272080D+02  0.680753D+02
      6  -0.124882D+02  0.149687D+02 -0.336122D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.114523D+02  0.214308D+00  0.974452D+00  0.547443D+01  0.207753D+01
      2   0.214308D+00  0.122561D+01  0.273405D+00  0.207753D+01  0.194462D+01
      3   0.974452D+00  0.273405D+00  0.155732D+01 -0.520715D-01 -0.276122D+01
                 6             7             8             9            10 
      1  -0.520715D-01 -0.987793D+01  0.384398D+00 -0.431194D+00  0.294785D+02
      2  -0.276122D+01  0.384398D+00 -0.149715D+01 -0.111950D+01  0.147451D+01
      3  -0.220111D+01 -0.431194D+00 -0.111950D+01 -0.166028D+01 -0.999054D+00
                11            12            13            14            15 
      1   0.147451D+01 -0.999054D+00 -0.641239D+00  0.450886D+01  0.116181D+01
      2   0.215360D+01 -0.613455D+00  0.450886D+01 -0.772742D+00 -0.654657D-01
      3  -0.613455D+00  0.283239D+01  0.116181D+01 -0.654657D-01 -0.592963D+00
                16            17            18            19            20 
      1  -0.265928D+01  0.107526D+01  0.115397D+01  0.870586D+01 -0.305484D+00
      2   0.107526D+01  0.507801D+00 -0.842902D+00 -0.305484D+00 -0.122104D+01
      3   0.115397D+01 -0.842902D+00 -0.636206D+00 -0.715386D+00 -0.525174D+00
                21            22            23            24            25 
      1  -0.715386D+00  0.390872D+01 -0.149287D+01 -0.107755D+01 -0.121608D+02
      2  -0.525174D+00 -0.149287D+01  0.236932D+01 -0.221785D+01 -0.201723D+00
      3  -0.294258D+01 -0.107755D+01 -0.221785D+01 -0.137027D+01  0.745844D+00
                26            27            28            29            30 
      1  -0.201723D+00  0.745844D+00 -0.265852D+02 -0.149316D+00  0.739336D+00
      2  -0.102975D+01 -0.849944D+00 -0.149316D+00 -0.182967D+01  0.254707D+00
      3  -0.849944D+00 -0.148363D+01  0.739336D+00  0.254707D+00 -0.281190D+01
                31            32            33            34            35 
      1   0.202927D+01 -0.460912D+01 -0.140506D+01  0.264301D+01 -0.120267D+01
      2  -0.460912D+01  0.420887D+00  0.424311D+00 -0.120267D+01 -0.242544D-01
      3  -0.140506D+01  0.424311D+00 -0.619326D-01 -0.785915D+00 -0.101980D+01
                36            37            38            39            40 
      1  -0.785915D+00  0.118704D+02 -0.299822D+00 -0.906556D+00 -0.359063D+01
      2  -0.101980D+01 -0.299822D+00 -0.253123D+01  0.125098D+01 -0.156509D+01
      3   0.462764D+00 -0.906556D+00  0.125098D+01 -0.179904D+01 -0.416763D+00
                41            42            43            44            45 
      1  -0.156509D+01 -0.416763D+00  0.103608D+02 -0.149672D+01  0.273953D+00
      2  -0.274174D+01  0.239872D+01 -0.149672D+01  0.131868D+01  0.139969D+01
      3   0.239872D+01  0.187430D+01  0.273953D+00  0.139969D+01  0.159569D+01
                46            47            48            49            50 
      1  -0.881286D+01  0.310930D+00  0.464155D+00 -0.273607D+01  0.105895D+01
      2   0.310930D+00  0.219958D+01 -0.754885D+00  0.105895D+01 -0.330185D+01
      3   0.464155D+00 -0.754885D+00  0.282533D+01  0.135722D+01  0.205360D+01
                51            52            53            54            55 
      1   0.135722D+01  0.118514D+02  0.145601D+01 -0.104668D+01 -0.144507D+02
      2   0.205360D+01  0.145601D+01  0.777036D-01  0.151427D+01 -0.201493D+01
      3   0.111092D+01 -0.104668D+01  0.151427D+01  0.827426D+00 -0.423569D+00
                56            57            58            59            60 
      1  -0.201493D+01 -0.423569D+00 -0.596666D+01 -0.745550D+01 -0.566217D+00
      2  -0.362877D+01 -0.142653D+00 -0.745550D+01  0.226931D+01 -0.186397D+01
      3  -0.142653D+00 -0.146215D+01 -0.566217D+00 -0.186397D+01 -0.160010D-01
                61            62            63            64            65 
      1  -0.566491D+01 -0.127270D+01 -0.327868D+01 -0.176165D+01  0.293392D+01
      2  -0.127270D+01 -0.333735D+01  0.613517D+00  0.293392D+01  0.393818D+01
      3  -0.327868D+01  0.613517D+00  0.530866D+01 -0.938482D-01  0.392299D+00
                66            67            68            69            70 
      1  -0.938482D-01  0.106899D+02  0.668147D+01  0.859287D+00  0.549824D+01
      2   0.392299D+00  0.668147D+01 -0.152007D+01  0.238627D+01  0.138197D+01
      3   0.260372D+01  0.859287D+00  0.238627D+01  0.481709D+00  0.395995D+01
                71            72            73            74            75 
      1   0.138197D+01  0.395995D+01  0.639846D+01 -0.255383D+01 -0.105364D+01
      2   0.340662D+01  0.598632D+00 -0.255383D+01 -0.377205D+01 -0.650315D+00
      3   0.598632D+00 -0.739627D+01 -0.105364D+01 -0.650315D+00 -0.200247D+01
                76            77            78            79            80 
      1  -0.357717D+01 -0.416007D+01 -0.951608D+00 -0.204171D+01 -0.936361D+00
      2  -0.416007D+01 -0.396592D+00 -0.309627D+01 -0.936361D+00 -0.421584D+01
      3  -0.951608D+00 -0.309627D+01 -0.107370D+01 -0.278335D+01 -0.191435D+01
                81            82            83            84            85 
      1  -0.278335D+01  0.546909D+01 -0.174016D+01 -0.383943D+00 -0.369135D+01
      2  -0.191435D+01 -0.174016D+01 -0.357951D+01 -0.530528D+00 -0.580938D+01
      3   0.551083D+01 -0.383943D+00 -0.530528D+00 -0.300671D+01 -0.900682D+00
                86            87            88            89            90 
      1  -0.580938D+01 -0.900682D+00 -0.178718D+01 -0.878525D+00 -0.469362D+01
      2   0.198302D+01 -0.399722D+01 -0.878525D+00 -0.401851D+01 -0.238748D+00
      3  -0.399722D+01 -0.413980D+00 -0.469362D+01 -0.238748D+00  0.448466D+01
                91            92            93            94            95 
      1   0.480090D+01  0.179039D+01  0.176821D+01 -0.230892D+01  0.551419D+01
      2   0.179039D+01  0.205460D+01  0.432209D+00  0.551419D+01 -0.341533D+01
      3   0.176821D+01  0.432209D+00  0.165293D+01  0.139986D+01  0.507634D+00
                96            97            98            99           100 
      1   0.139986D+01  0.307286D+01  0.193148D+01  0.255735D+01  0.667303D-01
      2   0.507634D+00  0.193148D+01  0.646093D+00  0.281726D+01 -0.764786D+00
      3   0.231913D+01  0.255735D+01  0.281726D+01 -0.322270D+01 -0.143942D+01
               101           102           103           104           105 
      1  -0.764786D+00 -0.143942D+01  0.486820D+00 -0.887946D+00  0.113889D+01
      2  -0.341155D+00  0.738602D+00 -0.887946D+00  0.286941D+01 -0.163878D+01
      3   0.738602D+00  0.412986D+00  0.113889D+01 -0.163878D+01 -0.244245D+01
               106           107           108           109           110 
      1  -0.342548D+01  0.128278D+01  0.111960D+01 -0.255371D+01  0.183197D+01
      2   0.128278D+01 -0.268435D+01 -0.323328D+01  0.183197D+01 -0.864686D+00
      3   0.111960D+01 -0.323328D+01 -0.220906D+01  0.325774D+01 -0.809757D+00
               111           112           113           114           115 
      1   0.325774D+01  0.252544D+01 -0.263408D+01 -0.162556D+01  0.552839D+01
      2  -0.809757D+00 -0.263408D+01  0.442815D+01  0.381237D+01 -0.250424D+01
      3  -0.139258D+01 -0.162556D+01  0.381237D+01  0.315011D+01 -0.314710D+01
               116           117           118           119           120 
      1  -0.250424D+01 -0.314710D+01  0.375501D+00 -0.420915D+00 -0.140859D+01
      2   0.420811D+01  0.397123D+01 -0.420915D+00  0.182555D+01 -0.153678D+00
      3   0.397123D+01  0.881030D+01 -0.140859D+01 -0.153678D+00 -0.757757D-01
               121           122           123           124           125 
      1  -0.146431D+01  0.270636D+01 -0.364380D+00 -0.326461D+01  0.899181D+00
      2   0.270636D+01 -0.592358D+01 -0.356991D+00  0.899181D+00 -0.175195D+01
      3  -0.364380D+00 -0.356991D+00 -0.240184D+00 -0.967220D+00  0.139248D+01
               126           127           128           129           130 
      1  -0.967220D+00  0.212329D+01  0.591905D+00 -0.206700D+01  0.207152D+00
      2   0.139248D+01  0.591905D+00  0.293986D+00 -0.425046D+00  0.112191D+00
      3  -0.396675D+01 -0.206700D+01 -0.425046D+00  0.212036D+01 -0.713683D+00
               131           132           133           134           135 
      1   0.112191D+00 -0.713683D+00 -0.240955D+01 -0.952096D+00  0.271890D+01
      2   0.361446D+00 -0.641652D+00 -0.952096D+00 -0.123925D+01  0.163425D+01
      3  -0.641652D+00  0.217012D+01  0.271890D+01  0.163425D+01 -0.722473D+01
               136           137           138           139           140 
      1  -0.444823D+01  0.103379D+01 -0.217541D+01  0.153958D+01 -0.695098D+00
      2   0.103379D+01 -0.759091D+00  0.575504D+00 -0.695098D+00  0.635083D+00
      3  -0.217541D+01  0.575504D+00 -0.185327D+01  0.114120D+01 -0.595049D+00
               141           142           143           144           145 
      1   0.114120D+01 -0.248565D+01  0.849783D+00 -0.272031D+01 -0.217152D+01
      2  -0.595049D+00  0.849783D+00 -0.111370D+01  0.143285D+01 -0.692793D+00
      3   0.181245D+01 -0.272031D+01  0.143285D+01 -0.476983D+01  0.210471D+01
               146           147           148           149           150 
      1  -0.692793D+00  0.210471D+01 -0.523532D+00 -0.208190D+00  0.783846D+00
      2  -0.408508D+00  0.669975D+00 -0.208190D+00 -0.568170D+00  0.856717D+00
      3   0.669975D+00 -0.214807D+01  0.783846D+00  0.856717D+00 -0.229476D+01
               151           152           153           154           155 
      1   0.210296D+01  0.101369D+01 -0.269098D+01  0.369122D+01 -0.109041D+01
      2   0.101369D+01  0.159612D+01 -0.234538D+01 -0.109041D+01  0.885605D+00
      3  -0.269098D+01 -0.234538D+01  0.724097D+01  0.260167D+01 -0.104889D+01
               156           157           158           159           160 
      1   0.260167D+01 -0.159101D+01  0.656587D+00 -0.128896D+01  0.273312D+01
      2  -0.104889D+01  0.656587D+00 -0.829697D+00  0.908065D+00 -0.123696D+01
      3   0.229270D+01 -0.128896D+01  0.908065D+00 -0.204549D+01  0.295943D+01
               161           162           163           164           165 
      1  -0.123696D+01  0.295943D+01  0.103643D+01 -0.992147D-01 -0.163941D+01
      2   0.159111D+01 -0.211165D+01 -0.992147D-01  0.724690D+00  0.297282D+00
      3  -0.211165D+01  0.523644D+01 -0.163941D+01  0.297282D+00  0.140645D+01
               166           167           168           169           170 
      1   0.148247D+01  0.119552D+01 -0.454081D-01 -0.363154D+01  0.127893D+00
      2   0.119552D+01 -0.472554D+00 -0.755260D+00  0.127893D+00 -0.110964D+01
      3  -0.454081D-01 -0.755260D+00  0.151219D-01  0.245401D+01 -0.121613D+01
               171           172           173           174           175 
      1   0.245401D+01  0.411361D+01 -0.197508D+01  0.705969D+00 -0.393483D+01
      2  -0.121613D+01 -0.197508D+01  0.236158D+01 -0.107761D+00  0.348258D+01
      3  -0.625144D+01  0.705969D+00 -0.107761D+00  0.409389D+00 -0.254370D+00
               176           177           178           179           180 
      1   0.348258D+01 -0.254370D+00  0.457982D+01 -0.468909D+00  0.115370D+01
      2  -0.669716D+01  0.947998D+00 -0.468909D+00  0.214187D+01 -0.113092D+01
      3   0.947998D+00 -0.747644D+00  0.115370D+01 -0.113092D+01  0.334652D+00
               181           182           183           184           185 
      1  -0.432717D+00 -0.628490D+00  0.139695D+01 -0.130538D+01 -0.826445D+00
      2  -0.628490D+00 -0.795342D+00 -0.385427D-01 -0.826445D+00  0.209724D+00
      3   0.139695D+01 -0.385427D-01 -0.101371D+01  0.106494D+00  0.747142D+00
               186           187           188           189           190 
      1   0.106494D+00  0.221004D+01  0.161280D+00 -0.792508D+00 -0.891949D+01
      2   0.747142D+00  0.161280D+00  0.977803D+00 -0.156007D-01  0.726154D+00
      3   0.652412D-01 -0.792508D+00 -0.156007D-01  0.736661D+01  0.394805D+00
               191           192           193           194           195 
      1   0.726154D+00  0.394805D+00  0.839324D-01 -0.143764D+01  0.812612D-01
      2  -0.214356D+01  0.994287D-01 -0.143764D+01  0.660581D+00  0.382975D+00
      3   0.994287D-01 -0.632070D+00  0.812612D-01  0.382975D+00  0.381989D+00
               196           197           198           199           200 
      1   0.494610D+00 -0.792899D-01 -0.373022D+00  0.354730D+00  0.669247D+00
      2  -0.792899D-01  0.653543D+00  0.563761D+00  0.669247D+00  0.945689D+00
      3  -0.373022D+00  0.563761D+00 -0.330729D+00 -0.111429D+01 -0.299679D+00
               201           202           203           204           205 
      1  -0.111429D+01  0.329234D+00  0.643626D+00 -0.765132D-01 -0.177115D+01
      2  -0.299679D+00  0.643626D+00  0.863004D+00 -0.780014D+00 -0.514511D+00
      3   0.141371D+01 -0.765132D-01 -0.780014D+00  0.581216D+00  0.155326D+01
               206           207           208           209           210 
      1  -0.514511D+00  0.155326D+01  0.229236D+01  0.270077D+01  0.925515D+00
      2  -0.187407D+01  0.192769D+01  0.270077D+01  0.336497D+01  0.708419D+00
      3   0.192769D+01 -0.685994D+01  0.925515D+00  0.708419D+00  0.960796D+00
               211           212           213           214           215 
      1   0.247366D+01  0.340798D+01  0.904259D+00  0.179924D+01  0.147821D+01
      2   0.340798D+01  0.725254D+01  0.205247D+01  0.147821D+01  0.349329D+01
      3   0.904259D+00  0.205247D+01  0.138063D+01  0.129489D+01  0.193019D+01
               216           217           218           219           220 
      1   0.129489D+01  0.227386D+01  0.117783D+00 -0.173294D+01  0.387184D+00
      2   0.193019D+01  0.117783D+00  0.671834D+00  0.733397D-01  0.127507D+01
      3   0.114891D+01 -0.173294D+01  0.733397D-01  0.177468D+01  0.253650D-01
               221           222           223           224           225 
      1   0.127507D+01  0.253650D-01 -0.438024D+01  0.113711D+00  0.343175D+01
      2  -0.175416D+00 -0.486353D+00  0.113711D+00 -0.914336D+00 -0.361298D-01
      3  -0.486353D+00  0.848065D-01  0.343175D+01 -0.361298D-01 -0.614161D+01
               226           227           228           229           230 
      1   0.198261D+01 -0.183596D+01  0.942652D+00 -0.382784D+01  0.339250D+01
      2  -0.183596D+01  0.183503D+01 -0.568898D+00  0.339250D+01 -0.585191D+01
      3   0.942652D+00 -0.568898D+00  0.887928D+00 -0.109896D+01  0.209742D+01
               231           232           233           234           235 
      1  -0.109896D+01  0.197119D+01 -0.974869D+00  0.174135D+01  0.486508D+01
      2   0.209742D+01 -0.974869D+00  0.223144D+01 -0.144448D+01  0.254058D+01
      3  -0.158885D+01  0.174135D+01 -0.144448D+01  0.126003D+01  0.178229D+01
               236           237           238           239           240 
      1   0.254058D+01  0.178229D+01  0.555469D+01  0.374871D+01  0.167435D+01
      2   0.201199D+01  0.916416D+00  0.374871D+01  0.374442D+01  0.196853D+01
      3   0.916416D+00  0.138093D+01  0.167435D+01  0.196853D+01  0.168272D+01
               241           242           243           244           245 
      1   0.356136D+01  0.149076D+01  0.255601D+01 -0.955455D-02 -0.867649D+00
      2   0.149076D+01  0.206247D+01  0.144597D+01 -0.867649D+00 -0.686146D+00
      3   0.255601D+01  0.144597D+01  0.172600D+01  0.128998D+01  0.267823D+00
               246           247           248           249           250 
      1   0.128998D+01 -0.121257D+01 -0.121319D+01  0.403094D+00  0.259711D+01
      2   0.267823D+00 -0.121319D+01 -0.101812D+01  0.126231D+01  0.415915D+00
      3  -0.117514D+01  0.403094D+00  0.126231D+01 -0.158218D+01 -0.185611D+01
               251           252           253           254           255 
      1   0.415915D+00 -0.185611D+01  0.836930D+01 -0.760157D+00 -0.203116D+01
      2   0.149831D+01 -0.142266D+01 -0.760157D+00 -0.338018D+01 -0.109599D+01
      3  -0.142266D+01  0.522913D+01 -0.203116D+01 -0.109599D+01 -0.160642D+01
               256           257           258           259           260 
      1  -0.364474D+01 -0.301870D+01 -0.135995D+01 -0.644119D+01 -0.159540D+01
      2  -0.301870D+01  0.502056D+01 -0.443599D+00 -0.159540D+01 -0.181801D+01
      3  -0.135995D+01 -0.443599D+00 -0.253353D+01 -0.215570D+01 -0.258322D+01
               261           262           263           264           265 
      1  -0.215570D+01 -0.128399D+01  0.148702D+01 -0.580347D+00  0.243011D+01
      2  -0.258322D+01  0.148702D+01 -0.175346D+01  0.419731D+00 -0.331719D+01
      3   0.279271D+01 -0.580347D+00  0.419731D+00 -0.459118D+00  0.776420D+00
               266           267           268           269           270 
      1  -0.331719D+01  0.776420D+00 -0.341090D-01 -0.243918D+00 -0.334539D+00
      2   0.821892D+01 -0.161407D+01 -0.243918D+00  0.371029D+00  0.588843D+00
      3  -0.161407D+01  0.147772D+01 -0.334539D+00  0.588843D+00 -0.610430D+00
               271           272           273           274           275 
      1  -0.195187D+00  0.483902D+00 -0.579659D+00  0.144923D+01  0.390612D+00
      2   0.483902D+00  0.531193D+00  0.183774D+00  0.390612D+00  0.434586D+00
      3  -0.579659D+00  0.183774D+00  0.407804D+00  0.352301D+00 -0.667413D+00
               276           277           278           279           280 
      1   0.352301D+00 -0.178375D+01 -0.190752D+00 -0.663307D+00 -0.151859D+02
      2  -0.667413D+00 -0.190752D+00 -0.112319D+01  0.399151D+00 -0.180100D+01
      3   0.129316D+01 -0.663307D+00  0.399151D+00 -0.618917D+01 -0.243021D+00
               281           282           283           284           285 
      1  -0.180100D+01 -0.243021D+00  0.508711D+00 -0.122524D+01  0.134332D+00
      2  -0.130330D+01 -0.165300D+00 -0.122524D+01 -0.677497D+00  0.103261D+00
      3  -0.165300D+00 -0.103807D+01  0.134332D+00  0.103261D+00  0.352211D+00
               286           287           288           289           290 
      1   0.191418D+01  0.413960D+00 -0.112016D+01 -0.488485D-02 -0.907191D+00
      2   0.413960D+00  0.552304D+00  0.113537D+00 -0.907191D+00  0.197403D+01
      3  -0.112016D+01  0.113537D+00  0.478780D-01  0.238815D+00  0.376661D+00
               291           292           293           294           295 
      1   0.238815D+00 -0.154424D+01 -0.296968D+00 -0.102253D+00  0.900739D+00
      2   0.376661D+00 -0.296968D+00 -0.932315D+01 -0.928622D+00  0.273373D+00
      3   0.479623D+00 -0.102253D+00 -0.928622D+00 -0.102849D+01  0.166418D+00
               296           297 
      1   0.273373D+00  0.166418D+00
      2   0.417039D+00 -0.818610D+00
      3  -0.818610D+00 -0.430901D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.433956D+00 -0.203495D+01  0.582981D+00 -0.657458D+01 -0.245382D+01
      2   0.286530D+01 -0.246212D+01  0.964158D+01 -0.181203D+01  0.153286D+01
      3   0.166476D+02 -0.234389D+01  0.300374D+01  0.781854D+01 -0.124378D+01
                 6             7             8             9            10 
      1  -0.219200D+01 -0.228273D+01  0.226010D+01 -0.165080D+00 -0.105401D+00
      2  -0.331724D+01 -0.492835D+01 -0.120649D+01  0.229218D+01  0.128796D+01
      3   0.208947D+01  0.135616D+02  0.472381D+00  0.303010D+01 -0.302591D+02
                11            12            13            14            15 
      1   0.871739D-01  0.207765D+01  0.190770D+01  0.449806D+01 -0.831334D+01
      2   0.585956D+00 -0.352128D+01  0.409418D+01  0.487386D+00  0.894673D+00
      3  -0.119558D+01  0.817670D+00  0.112599D+02 -0.171340D+01 -0.461276D+00
                16            17            18            19            20 
      1  -0.253477D+01 -0.265824D+01 -0.422196D+01  0.508013D+00  0.153553D+01
      2  -0.232122D+02 -0.133416D+01 -0.318135D+01 -0.386013D+01 -0.145692D+01
      3  -0.142225D+01 -0.797936D+00 -0.240549D+01 -0.106545D+02 -0.829024D+00
                21            22            23            24            25 
      1  -0.129068D+01  0.533656D+01 -0.186132D+01 -0.349924D+01  0.360645D+01
      2   0.331857D+01 -0.368140D+01 -0.171079D+01  0.105796D+01 -0.252361D+01
      3   0.263898D+01  0.701428D+01  0.146248D+01 -0.279305D+01  0.163903D+02
                26            27            28            29            30 
      1   0.225054D+01 -0.149714D+01 -0.911748D+00  0.131058D+01 -0.186936D+01
      2   0.371693D+00 -0.546837D+00  0.310428D+01  0.894175D+00 -0.225791D+01
      3  -0.154148D+01 -0.428431D+01  0.280909D+02 -0.159441D+00 -0.189089D+01
                31            32            33            34            35 
      1  -0.227851D+00  0.398106D+01 -0.903324D+01 -0.450921D+01 -0.207272D+01
      2   0.349482D+01 -0.844818D-01  0.232448D+01 -0.242551D+02  0.416032D+01
      3   0.830135D+01  0.493005D+01  0.110594D+01 -0.631495D+01 -0.866930D+00
                36            37            38            39            40 
      1  -0.319880D+01 -0.539850D+00 -0.127654D+01 -0.204005D+01 -0.560487D+01
      2  -0.503232D+00  0.578290D+00 -0.262019D+01  0.844329D+01 -0.219364D+01
      3   0.126002D+01 -0.132282D+02 -0.106897D+01  0.300468D+01  0.146398D+02
                41            42            43            44            45 
      1   0.115054D+01  0.622119D+00 -0.773230D+00  0.374320D+01  0.204718D+01
      2   0.138447D+01 -0.151764D+01 -0.709250D+01 -0.101673D+01  0.154321D+01
      3  -0.100909D+01  0.243511D+01 -0.982584D+01  0.321684D+01  0.184319D+01
                46            47            48            49            50 
      1  -0.238545D+00  0.139473D+01  0.305631D+01  0.764251D+01  0.142357D+01
      2  -0.166293D+01 -0.195408D+01  0.388305D+01 -0.331185D+01 -0.148831D+01
      3   0.126220D+02 -0.124470D+01 -0.874068D+00  0.135672D+02  0.146822D+01
                51            52            53            54            55 
      1  -0.261368D+01  0.269509D+01  0.391996D+01  0.518048D+00 -0.188683D+01
      2   0.537894D+00 -0.249911D+01  0.118656D+01 -0.128937D+01 -0.411053D+01
      3  -0.388087D+01 -0.104515D+02 -0.220306D+01 -0.670373D+00  0.156688D+02
                56            57            58            59            60 
      1  -0.185283D-01 -0.824199D+00 -0.324390D+00 -0.551720D+01 -0.105660D+01
      2   0.602196D+00 -0.134963D+01 -0.203201D+01 -0.113826D+02  0.148118D+01
      3   0.994152D+01  0.239588D+00  0.365169D+02  0.215713D+00  0.695453D+01
                61            62            63            64            65 
      1  -0.576356D+00  0.424030D+01  0.470308D+01  0.211691D+01  0.112539D+01
      2  -0.216121D+02  0.732652D+00  0.203944D+02  0.387069D+01  0.154992D+01
      3   0.937467D+01  0.121864D+02  0.190265D+01 -0.192245D+02 -0.204161D+02
                66            67            68            69            70 
      1  -0.187901D+01 -0.804478D-01 -0.188243D+01 -0.211463D+01  0.437668D+00
      2   0.140053D+02  0.519356D+01  0.113753D+02  0.199988D+00  0.128518D+02
      3  -0.180744D+01 -0.262354D+02  0.573615D+01 -0.991001D+01 -0.102471D+02
                71            72            73            74            75 
      1   0.481091D+01  0.482665D+01  0.185894D+01  0.229381D+01  0.503353D+01
      2   0.314675D+01 -0.342470D+02 -0.483089D+00 -0.394307D+01 -0.515874D+01
      3  -0.143344D+02 -0.232264D+01  0.262892D+02  0.416443D+01  0.804469D+00
                76            77            78            79            80 
      1   0.302699D+01  0.970773D+01  0.174622D+01  0.690532D+01  0.844327D+01
      2  -0.509979D+01 -0.114252D+02 -0.385766D+01 -0.120955D+02 -0.656666D+01
      3   0.108640D+02 -0.672613D+01  0.916383D+01  0.149392D+01  0.126580D+02
                81            82            83            84            85 
      1  -0.122700D+02 -0.465757D+00 -0.570444D+00  0.345443D+00 -0.677146D+00
      2   0.186353D+02 -0.516007D+01 -0.222859D+01 -0.158708D+02 -0.408598D+01
      3   0.253863D+01  0.921758D+01  0.189726D+02  0.282541D+01  0.385043D+02
                86            87            88            89            90 
      1   0.143476D+01 -0.273400D+01  0.742466D+00  0.793535D+00 -0.130278D+01
      2  -0.220623D+02 -0.680838D+00 -0.314261D+02 -0.104793D+01  0.265177D+02
      3  -0.126000D+02  0.231274D+02  0.450434D+01  0.226865D+02  0.132292D+01
                91            92            93            94            95 
      1   0.199020D+01 -0.922376D+00  0.155215D+01  0.406657D+00 -0.136586D+01
      2  -0.102187D+02  0.690627D-01 -0.215043D+01 -0.911326D+00 -0.397516D+01
      3  -0.398341D+01  0.117599D+01 -0.696038D+00  0.333017D+02 -0.160303D+02
                96            97            98            99           100 
      1  -0.211933D+01  0.159819D+01  0.544833D+01 -0.317323D+00  0.117716D+01
      2  -0.101320D+02 -0.171532D+02 -0.104250D+02  0.114821D+02  0.539997D+01
      3  -0.108473D+01  0.209448D+01 -0.891964D+00  0.709860D+01  0.140673D+02
               101           102           103           104           105 
      1   0.184750D+01 -0.334925D+01  0.976074D+00 -0.140631D+01  0.782574D+00
      2  -0.393941D+01  0.729709D+01 -0.171088D+01  0.508543D+01  0.156984D+02
      3  -0.161709D+02  0.189064D+01 -0.761467D+01  0.107983D+01 -0.391060D+01
               106           107           108           109           110 
      1  -0.390366D+01 -0.207885D+00  0.428111D+01 -0.330386D+01 -0.236737D+01
      2  -0.208369D+01  0.132763D+02  0.939578D+01 -0.894425D+01  0.249338D+01
      3   0.852104D+01 -0.932682D+01 -0.965777D+01  0.110182D+00 -0.604627D+00
               111           112           113           114           115 
      1   0.189901D+01 -0.177443D+01  0.350024D+01 -0.582711D+01  0.102039D+01
      2   0.476738D+01 -0.119382D+01 -0.109087D+02 -0.133804D+02  0.247415D+01
      3  -0.529530D+00 -0.397304D+01  0.186214D+02  0.123313D+02 -0.107331D+02
               116           117           118           119           120 
      1   0.601876D+01 -0.991508D+01  0.357161D+01 -0.734738D+00  0.400111D+00
      2  -0.124055D+02 -0.315622D+02  0.535678D+01 -0.149368D-01  0.175044D+01
      3   0.157783D+02  0.120948D+02 -0.309250D+01  0.480663D+01 -0.294669D+01
               121           122           123           124           125 
      1  -0.125753D+01  0.510185D+01 -0.183010D+01 -0.138055D+01  0.620875D+01
      2   0.103467D+01  0.364566D+01 -0.718136D+00 -0.902611D+00 -0.411252D+01
      3   0.826111D+01 -0.168901D+02 -0.229448D+01  0.296498D+01 -0.663445D+01
               126           127           128           129           130 
      1   0.743774D+01 -0.178808D+01 -0.197420D+01  0.107263D+01 -0.109022D+00
      2   0.153089D+02  0.481697D+01  0.850382D+00 -0.122617D+01  0.210768D+00
      3   0.527353D+01 -0.310891D+00 -0.100319D+01  0.894719D+00  0.126605D+01
               131           132           133           134           135 
      1  -0.116052D+01 -0.301344D+00  0.314049D+01  0.555209D+01 -0.488182D+01
      2  -0.135371D+00  0.525941D+00 -0.499693D+01 -0.636928D+00 -0.167329D+01
      3  -0.452796D+00  0.379371D+00  0.109454D+01  0.228802D+01 -0.175725D+01
               136           137           138           139           140 
      1  -0.228892D+01  0.314676D+01 -0.748806D+00  0.147223D+01 -0.147459D+01
      2  -0.953279D+01  0.144656D+01 -0.148416D+01  0.158160D+01 -0.890489D+00
      3   0.148023D+00 -0.151712D+01  0.677923D+00  0.873840D+00  0.110857D+01
               141           142           143           144           145 
      1  -0.671755D+00 -0.178367D+01  0.398789D+01 -0.293595D+01  0.193568D+01
      2   0.107757D+00 -0.408555D+01  0.215452D+00  0.736368D+00  0.443398D+01
      3  -0.695889D-01  0.807949D+00 -0.245344D+01  0.162370D+01  0.290880D+01
               146           147           148           149           150 
      1  -0.977499D+00 -0.223852D+01  0.118393D+01  0.215916D+00 -0.366363D+01
      2   0.528927D+00 -0.111333D+01  0.583948D+00 -0.689808D-01  0.637131D+00
      3  -0.577972D-01 -0.206786D+01  0.185988D+01 -0.265176D+00 -0.705708D+00
               151           152           153           154           155 
      1  -0.177473D+01  0.227694D+01  0.573022D+01  0.269090D+01  0.139364D+01
      2  -0.432653D+01 -0.320810D+00 -0.991552D+00 -0.541447D+01  0.304125D+00
      3  -0.238981D+01  0.101829D+01  0.177621D+01 -0.501755D+01 -0.724461D+00
               156           157           158           159           160 
      1   0.233817D+01 -0.139073D+01  0.219096D+00 -0.371766D+01  0.239054D+01
      2  -0.527973D+00  0.734698D+00  0.184257D+00 -0.925671D+00 -0.320912D+01
      3  -0.245735D+01  0.364799D+01  0.694789D+00  0.871258D+00 -0.302755D+01
               161           162           163           164           165 
      1   0.151014D+01  0.429805D+01 -0.145512D+01 -0.611858D+00  0.120550D+01
      2  -0.282366D+00  0.223404D+01 -0.595833D+01  0.555816D+00  0.539918D+01
      3  -0.134439D+01 -0.181076D+01 -0.158131D+01 -0.348094D+01  0.761778D+00
               166           167           168           169           170 
      1   0.111915D+00 -0.266439D+00 -0.874333D+00  0.235562D+01  0.208654D+01
      2   0.448521D+00 -0.148289D+01  0.450482D+00  0.233875D+01 -0.406910D+01
      3  -0.323939D+01  0.415758D+00  0.193958D+01  0.314136D+01  0.395908D+01
               171           172           173           174           175 
      1  -0.650124D+01  0.115209D+01 -0.105846D+01  0.148169D+01 -0.165022D+01
      2  -0.208533D+02  0.490509D+01 -0.164593D+01  0.344086D+01 -0.264658D+01
      3   0.299252D+00  0.115929D+01 -0.704921D+01 -0.148098D+00 -0.429055D+01
               176           177           178           179           180 
      1   0.356594D+01 -0.345794D+01  0.172903D+01 -0.121617D+01  0.123008D+01
      2   0.615194D+01 -0.370091D+01  0.378982D+01 -0.438666D+01  0.112349D+01
      3   0.183606D+02 -0.240715D+01 -0.315028D+01 -0.694635D+01  0.206085D+01
               181           182           183           184           185 
      1  -0.211228D+01 -0.141651D+01  0.101448D+01 -0.916376D+00 -0.328306D+00
      2   0.775994D+01  0.510195D+00 -0.495571D+01  0.154628D+01  0.368581D+01
      3   0.181930D+01  0.233241D+01  0.372425D+00  0.509359D+01 -0.865875D+00
               186           187           188           189           190 
      1  -0.499159D+00  0.157009D+01  0.348709D+01 -0.436167D+01  0.177996D+00
      2  -0.393516D+00 -0.910505D+01 -0.865937D+00  0.305276D+02 -0.171021D+01
      3  -0.289891D+01  0.399477D-01 -0.338340D+01 -0.418034D+00 -0.270283D+02
               191           192           193           194           195 
      1   0.213952D+00  0.221470D+01 -0.924633D-01 -0.101704D+01 -0.119996D+01
      2   0.606656D+00 -0.158348D+00  0.633673D+00  0.104496D+01  0.199139D+00
      3   0.602696D+01  0.615989D+00  0.663591D+01 -0.417373D+01 -0.128439D+01
               196           197           198           199           200 
      1   0.225494D+01  0.389036D+00  0.759750D+00  0.248511D+01 -0.757417D-01
      2  -0.355780D+01  0.123697D+01 -0.106232D+01 -0.372958D+01 -0.111161D+01
      3   0.794417D+00 -0.234552D+01 -0.283823D+01 -0.254963D+01 -0.327883D+01
               201           202           203           204           205 
      1  -0.311495D+01  0.209086D+00  0.123209D+01 -0.215571D+01 -0.309531D+01
      2   0.512061D+01 -0.269488D+00 -0.229001D+01  0.137160D+01  0.946023D+00
      3  -0.607511D+00 -0.610081D+00 -0.164801D+01  0.229927D+01 -0.220575D+01
               206           207           208           209           210 
      1  -0.258889D+00  0.156257D+02 -0.260806D+01 -0.215070D+01 -0.378326D+01
      2   0.608973D+01 -0.229525D+02  0.346754D+01  0.301655D+01  0.465651D+01
      3   0.664200D+01 -0.478309D+01 -0.491211D+01 -0.864028D+01 -0.611816D+00
               211           212           213           214           215 
      1  -0.346317D+01 -0.589590D+01 -0.601957D+01 -0.347930D+01 -0.351397D+01
      2   0.326262D+01  0.786262D+01  0.595210D+01  0.361746D+01  0.693463D+01
      3  -0.345780D+01 -0.199355D+02 -0.515472D+01 -0.883935D+00 -0.103780D+02
               216           217           218           219           220 
      1  -0.354062D+01  0.367805D+00 -0.492179D+00 -0.122848D+00  0.111586D+00
      2   0.435651D+01 -0.990061D+01  0.320429D+00  0.116920D+02  0.753018D-01
      3  -0.452170D+01 -0.482917D+00 -0.476665D+01 -0.477172D+00 -0.553654D+01
               221           222           223           224           225 
      1   0.719875D-01 -0.848868D+00 -0.711682D+00  0.248594D+01  0.116194D+01
      2  -0.263055D+01  0.365538D+00  0.164721D+02 -0.183748D+00 -0.363697D+02
      3   0.107262D+01  0.236033D+01 -0.876694D+00  0.600147D+01  0.355627D-01
               226           227           228           229           230 
      1  -0.906460D+00  0.870446D+00  0.384327D+00  0.106755D+01 -0.294517D+01
      2   0.462652D+01 -0.265947D+01  0.557443D+01 -0.414797D+01  0.111182D+02
      3   0.993928D+01 -0.115015D+02  0.330547D+01 -0.152691D+02  0.335603D+02
               231           232           233           234           235 
      1  -0.144573D+01 -0.423632D+00  0.206789D+01  0.540092D-01  0.384695D+00
      2  -0.979493D+01  0.733530D+01 -0.780482D+01  0.646248D+01  0.795652D+01
      3  -0.117338D+02  0.468700D+01 -0.130300D+02  0.771130D+01 -0.124059D+02
               236           237           238           239           240 
      1   0.957652D+00 -0.935671D+00  0.595080D+00  0.139696D+01 -0.149866D+01
      2   0.423244D+01  0.920587D+01  0.694198D+01  0.100111D+02  0.101111D+02
      3  -0.130883D+02 -0.487839D+01 -0.176009D+02 -0.214358D+02 -0.108931D+02
               241           242           243           244           245 
      1  -0.534002D+00  0.161757D+01 -0.688584D+00  0.204667D+00 -0.395816D+00
      2   0.114807D+02  0.755849D+01  0.905229D+01 -0.519485D+01 -0.553207D+00
      3  -0.694098D+01 -0.123518D+02 -0.761751D+01 -0.301118D+01 -0.229245D+01
               246           247           248           249           250 
      1  -0.713954D+00 -0.975493D-01  0.171282D+00 -0.168916D+01 -0.728528D+00
      2   0.400336D+01 -0.409125D-01 -0.349469D+01  0.549715D+01  0.126035D+01
      3   0.423273D-01 -0.120418D+01 -0.248943D+01  0.347986D+01 -0.907016D+00
               251           252           253           254           255 
      1   0.212486D+01  0.302072D+01 -0.227155D+01  0.930400D+00 -0.264904D+01
      2   0.464054D+01 -0.168104D+02  0.187269D+02  0.513818D+01  0.885653D+01
      3   0.450957D+01 -0.350540D+01 -0.155298D+02 -0.137363D+02 -0.955512D+00
               256           257           258           259           260 
      1  -0.114872D+01 -0.634600D+01 -0.623178D+01 -0.128994D+01 -0.105345D+01
      2   0.471860D+01  0.122883D+00  0.925734D+01  0.565163D+01  0.100207D+02
      3  -0.453793D+01  0.245657D+02  0.943558D+00  0.117072D+01 -0.246899D+01
               261           262           263           264           265 
      1   0.835813D+01 -0.714163D-01  0.823673D+00  0.691044D+00  0.130407D+01
      2  -0.158760D+02  0.119087D+01 -0.676608D+00  0.151395D+01 -0.120188D+01
      3  -0.727312D+01  0.336150D+01 -0.449261D+01  0.155181D+01 -0.693871D+01
               266           267           268           269           270 
      1  -0.419456D+01 -0.253912D+01 -0.150114D+00  0.664623D-01 -0.448339D+00
      2   0.398825D+01 -0.507159D+01  0.516294D+00 -0.161648D+01  0.158058D+01
      3   0.265538D+02 -0.500630D+01 -0.655210D+00  0.144875D+01  0.179719D+01
               271           272           273           274           275 
      1  -0.228425D+01 -0.856688D+00  0.587641D+00 -0.299092D+00 -0.309648D+01
      2   0.541080D+01  0.514314D+00 -0.252798D+01  0.168694D+01  0.364346D+01
      3   0.257618D+01  0.113317D+01  0.107331D+01  0.108397D+01  0.146491D+01
               276           277           278           279           280 
      1   0.219146D+01 -0.934528D-01  0.446572D+01 -0.109107D+02  0.929460D+00
      2  -0.564217D+01 -0.261158D+01 -0.264887D+01  0.252351D+02 -0.938807D+01
      3  -0.296141D+01  0.120878D+01 -0.413489D+01  0.307176D+01  0.146251D+02
               281           282           283           284           285 
      1   0.802194D+00 -0.192990D+01  0.103823D+01  0.676676D+00 -0.152537D-01
      2  -0.299046D+00  0.778372D+01 -0.851642D+00 -0.123524D+01 -0.124079D+01
      3  -0.612717D+01 -0.700184D+00 -0.427142D+01 -0.100120D+01  0.375472D+00
               286           287           288           289           290 
      1  -0.195523D+01  0.838046D+00 -0.171319D+00  0.125292D+01 -0.798816D+00
      2   0.435382D+01 -0.724532D+00 -0.476090D+00 -0.748190D+00 -0.201915D+01
      3  -0.103064D+01  0.173078D+01  0.220184D+01 -0.518689D+01  0.768272D+01
               291           292           293           294           295 
      1   0.155215D+01 -0.443238D+00  0.622927D+01 -0.363437D+01  0.741344D+00
      2  -0.159641D+01 -0.105098D+01  0.394118D+01  0.370366D+01 -0.175823D+01
      3   0.502946D+00  0.461578D+01 -0.336139D+02 -0.265502D+01 -0.787371D+00
               296           297 
      1  -0.558911D+00 -0.992820D-01
      2   0.286775D+01  0.176592D+01
      3   0.837504D+00 -0.307637D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.554995D+00 -0.810350D+01  0.231099D+02  0.160070D+02 -0.317273D+01
      2   0.540333D+01  0.344323D+01 -0.871359D+01 -0.348990D+01  0.477276D+01
      3  -0.484834D+01  0.466027D+01 -0.143963D+02 -0.125171D+02 -0.160003D+01
      4  -0.378997D+01  0.330832D+01 -0.545312D+00  0.924981D+01  0.418732D+01
      5   0.191839D+02  0.108450D+01 -0.755665D+01 -0.439277D+01 -0.240728D+01
      6   0.541350D+00 -0.368974D+01 -0.826949D-01 -0.119027D+01  0.375972D+01
                 6             7             8             9            10 
      1  -0.164598D+02 -0.234298D+02 -0.105212D+02  0.551668D+01  0.486544D+02
      2   0.146142D+01  0.272705D+01  0.215732D+01  0.427403D+01 -0.178275D+02
      3   0.149983D+02  0.207027D+02  0.836385D+01 -0.979071D+01 -0.308269D+02
      4  -0.392891D+01  0.304473D+01 -0.247988D+01 -0.532059D+01 -0.113688D+02
      5  -0.405204D+01  0.869217D+01 -0.459648D+01  0.662175D+01 -0.296589D+01
      6   0.124142D+02 -0.672927D+01  0.636977D+01  0.147044D+02  0.125062D+01
                11            12            13            14            15 
      1   0.802822D+01 -0.611177D+00  0.104590D+02 -0.786956D+00  0.633546D+01
      2  -0.731687D+01  0.270999D+01 -0.999663D+01  0.668565D+01 -0.118539D+01
      3  -0.711345D+00 -0.209881D+01 -0.462370D+00 -0.589870D+01 -0.515008D+01
      4   0.225333D+01 -0.315861D+01  0.173283D+02 -0.478901D+01 -0.875239D+00
      5  -0.374517D+01  0.647841D+01  0.106221D+02 -0.431883D-01 -0.197802D+01
      6  -0.166119D+00 -0.679792D+01 -0.476543D+01  0.385006D+01  0.817534D+01
                16            17            18            19            20 
      1  -0.102508D+02  0.769617D+01 -0.195685D+02 -0.184069D+01  0.531028D+01
      2  -0.129823D+00  0.439872D+01  0.188040D+01 -0.320222D+00 -0.203981D+01
      3   0.103807D+02 -0.120949D+02  0.176881D+02  0.216092D+01 -0.327047D+01
      4   0.151455D+02  0.475665D+00 -0.941857D+00  0.558288D+01 -0.973855D+00
      5  -0.154122D+02 -0.187900D+01 -0.374399D+01 -0.170911D+02  0.231752D+01
      6  -0.443337D+01  0.566157D+00 -0.580104D+01  0.245569D+01  0.524515D+01
                21            22            23            24            25 
      1  -0.275204D+02 -0.944173D+01 -0.498713D+01 -0.692509D+01  0.229107D+02
      2   0.769210D+01 -0.171072D+01  0.630091D+01  0.103041D+00 -0.119663D+01
      3   0.198283D+02  0.111525D+02 -0.131379D+01  0.682205D+01 -0.217140D+02
      4   0.216642D+01  0.435019D+01 -0.120636D+01  0.355585D+01  0.317317D+01
      5  -0.289778D+01  0.949986D+00  0.193970D+01  0.656071D+01  0.100017D+02
      6   0.538463D+01  0.226896D+01  0.305111D+01  0.844614D+01  0.108991D+02
                26            27            28            29            30 
      1  -0.875805D+01  0.876502D+01  0.139334D+02 -0.263759D+01  0.203515D+01
      2   0.147707D+01 -0.160483D+01 -0.415600D+01  0.649673D+01  0.673039D+00
      3   0.728098D+01 -0.716019D+01 -0.977744D+01 -0.385914D+01 -0.270819D+01
      4   0.399383D+01  0.699556D+01  0.180705D+02  0.297603D+01 -0.238620D+01
      5   0.574018D+01 -0.512791D+01  0.183475D+01 -0.187081D+01  0.797770D+01
      6   0.301251D+01  0.113729D+02  0.304818D+01 -0.675489D+00  0.482152D+01
                31            32            33            34            35 
      1  -0.213397D+01 -0.290333D+01  0.852196D+01 -0.899509D+01  0.970573D+01
      2   0.760075D+01  0.532563D+01 -0.213156D+01  0.247282D+01  0.358179D+01
      3  -0.546678D+01 -0.242229D+01 -0.639040D+01  0.652228D+01 -0.132875D+02
      4   0.139978D+02  0.761438D+00  0.144811D+01  0.116302D+02  0.498550D+01
      5   0.131707D+02 -0.225921D+00  0.244676D+01 -0.183563D+02  0.379155D+01
      6  -0.132479D+01  0.364779D+01  0.649962D+01 -0.117611D+01  0.648909D+00
                36            37            38            39            40 
      1  -0.226000D+02  0.123089D+02 -0.136345D+02  0.255989D+02  0.500130D+01
      2   0.411393D+01  0.130867D+00  0.120327D+02 -0.123676D+02  0.414926D+01
      3   0.184861D+02 -0.124398D+02  0.160180D+01 -0.132313D+02 -0.915055D+01
      4   0.155145D+01 -0.934118D+01 -0.322714D+00  0.369650D+01  0.138422D+02
      5  -0.558971D+00  0.172441D+02  0.199778D+01 -0.903325D+01 -0.457064D+00
      6  -0.758347D+01 -0.685938D+00 -0.560049D+01  0.554479D+01 -0.455121D+00
                41            42            43            44            45 
      1  -0.119813D+02 -0.609716D+01 -0.166566D+02 -0.528535D+01  0.101351D+02
      2   0.185037D+02 -0.104144D+02  0.135202D+01 -0.371110D+01 -0.168426D+01
      3  -0.652244D+01  0.165116D+02  0.153046D+02  0.899645D+01 -0.845084D+01
      4   0.688783D+01 -0.254058D+01 -0.412734D+01 -0.238209D+01 -0.620192D+01
      5  -0.134267D+01 -0.294915D+01  0.103512D+02 -0.630572D+01  0.718533D+01
      6  -0.687727D+01  0.637770D+01 -0.105240D+02  0.156402D+01  0.890344D+01
                46            47            48            49            50 
      1  -0.112132D+02  0.109230D+02 -0.266351D+02 -0.662655D+01 -0.157733D+02
      2   0.305109D+01 -0.972206D+01  0.933749D+01 -0.512621D+01  0.223043D+02
      3   0.816214D+01 -0.120095D+01  0.172976D+02  0.117528D+02 -0.653104D+01
      4   0.946465D+01 -0.499945D+00  0.508662D+01  0.551286D+01 -0.643171D+01
      5  -0.172611D+02  0.468023D+01 -0.264925D+01  0.476844D+01  0.173030D+01
      6   0.411179D+01  0.549266D+01 -0.434622D+01  0.128856D+00 -0.571034D+01
                51            52            53            54            55 
      1   0.194277D+01  0.363948D+02 -0.424329D+01  0.994098D+01 -0.359328D+02
      2  -0.100406D+02 -0.831705D+01 -0.126434D+01 -0.475068D+01  0.116832D+02
      3   0.809782D+01 -0.280777D+02  0.550764D+01 -0.519030D+01  0.242496D+02
      4   0.152128D+01 -0.392664D+01  0.887014D+00  0.703889D+01  0.183492D+01
      5   0.574983D+01  0.521855D+01  0.676268D+01 -0.725845D+01 -0.390752D+01
      6   0.403259D+01  0.111756D+02 -0.221123D+01  0.822098D+01  0.259100D+01
                56            57            58            59            60 
      1  -0.909765D+01 -0.358276D+01 -0.399359D+02 -0.304352D+02 -0.445062D+01
      2   0.689660D+01 -0.149413D+01  0.276102D+02  0.357853D+01  0.509275D+01
      3   0.220105D+01  0.507689D+01  0.123258D+02  0.268567D+02 -0.642127D+00
      4  -0.255051D+02 -0.407237D-01 -0.518077D+02  0.247446D+02 -0.138536D+02
      5  -0.596258D+00 -0.112712D+02 -0.459022D+01 -0.144517D+02  0.485539D+00
      6   0.517410D+00  0.176901D+01 -0.114023D+01  0.475160D+01 -0.252137D+00
                61            62            63            64            65 
      1  -0.295310D+02 -0.730142D+01 -0.909485D+01 -0.555959D+02  0.140943D+02
      2   0.416646D+01  0.727897D+01  0.124524D+02  0.349370D+02 -0.211210D+01
      3   0.253645D+02  0.224489D-01 -0.335753D+01  0.206589D+02 -0.119822D+02
      4  -0.479365D+01 -0.236721D+02  0.744310D+01  0.157271D+02  0.289355D+02
      5  -0.262818D+02  0.435798D+01  0.392728D+02 -0.244237D+01  0.342177D+01
      6   0.422337D+01 -0.213176D+01 -0.715494D+01  0.593302D+00 -0.209188D+01
                66            67            68            69            70 
      1  -0.355408D+01  0.506879D+02  0.511000D+02  0.382348D-01  0.189758D+02
      2  -0.116387D+01 -0.209022D+02 -0.280852D+02  0.240499D+01 -0.746509D+01
      3   0.471795D+01 -0.297856D+02 -0.230148D+02 -0.244322D+01 -0.115107D+02
      4   0.278455D+01  0.472224D+02 -0.122757D+02  0.179750D+02  0.678918D+01
      5   0.191348D+02  0.841038D+01  0.206662D+02  0.209487D+01  0.363609D+02
      6   0.360982D+01  0.292182D+01  0.479905D+01 -0.662539D+00  0.308323D+01
                71            72            73            74            75 
      1   0.161020D+01  0.368004D+02  0.545538D+02 -0.565324D+01 -0.674964D+01
      2   0.413452D+01 -0.957563D+01 -0.373839D+02 -0.911237D+01 -0.890155D+00
      3  -0.574472D+01 -0.272248D+02 -0.171699D+02  0.147656D+02  0.763980D+01
      4   0.231601D+02  0.511186D+01 -0.264619D+01 -0.315869D+02 -0.763691D+01
      5   0.422496D+01 -0.570049D+02 -0.625547D+01 -0.568778D+01 -0.137470D+02
      6   0.432806D+01 -0.733760D+01 -0.676606D+01 -0.252761D+01 -0.995589D+01
                76            77            78            79            80 
      1  -0.899462D+01 -0.324528D+02  0.414152D+01 -0.111209D+02  0.357763D+01
      2  -0.891017D+01  0.116696D+02 -0.131333D+02 -0.229503D+01 -0.166546D+02
      3   0.179048D+02  0.207831D+02  0.899183D+01  0.134159D+02  0.130769D+02
      4  -0.372183D+02 -0.153998D+02 -0.223558D+02 -0.830913D+01 -0.315543D+02
      5  -0.664669D+01 -0.221378D+02 -0.772238D+01 -0.216281D+02 -0.145542D+02
      6  -0.557531D+01 -0.179827D+02 -0.449334D+01 -0.115634D+02 -0.917977D+01
                81            82            83            84            85 
      1  -0.960897D+01  0.609459D+02 -0.174532D+02 -0.261663D+01 -0.297396D+02
      2   0.914140D+01 -0.327434D+02  0.801825D+01 -0.338580D-01  0.134210D+02
      3   0.467569D+00 -0.282025D+02  0.943491D+01  0.265049D+01  0.163186D+02
      4  -0.199383D+02 -0.203146D+02 -0.403403D+02 -0.591849D+01 -0.633990D+02
      5   0.415054D+02 -0.591445D+01 -0.654026D+01 -0.345031D+02 -0.112119D+02
      6   0.209502D+02 -0.179959D+01 -0.539302D+01 -0.218549D+01 -0.102630D+02
                86            87            88            89            90 
      1  -0.553807D+02 -0.652096D+01 -0.130095D+02 -0.565902D+01 -0.467126D+02
      2   0.276155D+02  0.197834D+01  0.288851D+01  0.147802D+01  0.254519D+02
      3   0.277652D+02  0.454262D+01  0.101210D+02  0.418100D+01  0.212607D+02
      4   0.202251D+02 -0.443056D+02 -0.981871D+01 -0.424065D+02 -0.429715D+01
      5  -0.477080D+02 -0.348442D+01 -0.551121D+02 -0.305807D+01  0.493391D+02
      6   0.788740D-01 -0.581084D+01 -0.370138D+01 -0.603589D+01  0.173306D+01
                91            92            93            94            95 
      1   0.773836D+01 -0.261150D+01 -0.640086D+01 -0.526841D+01 -0.175222D+02
      2  -0.559436D+01 -0.166287D+01  0.935743D+00  0.549010D+01  0.940199D+01
      3  -0.214400D+01  0.427437D+01  0.546512D+01 -0.221695D+00  0.812024D+01
      4  -0.137674D+02 -0.174879D+02 -0.478706D+01 -0.375478D+02  0.166995D+02
      5  -0.164034D+02 -0.319690D+01 -0.119425D+02 -0.110298D+02 -0.582369D+01
      6  -0.398795D+00 -0.588371D+01 -0.683642D+01 -0.211878D+01  0.190443D+01
                96            97            98            99           100 
      1  -0.701866D+01 -0.185067D+02 -0.758019D+01 -0.525123D+01  0.749564D+01
      2   0.308201D+01  0.365211D+01 -0.132892D+01  0.596741D+01 -0.225915D+01
      3   0.393664D+01  0.148546D+02  0.890912D+01 -0.716187D+00 -0.523649D+01
      4  -0.583224D+01 -0.188254D+02 -0.685645D+01 -0.236413D+02  0.831054D+01
      5  -0.204958D+02 -0.210753D+02 -0.222263D+02  0.222681D+02  0.120418D+02
      6  -0.403298D+01 -0.999033D+01 -0.608444D+01  0.771958D+01 -0.539877D+01
               101           102           103           104           105 
      1   0.185584D+01  0.452425D+01  0.113821D+02  0.692783D+01  0.927879D+00
      2  -0.731814D-01 -0.316327D+01 -0.112899D+02 -0.170324D+01  0.359069D+01
      3  -0.178266D+01 -0.136099D+01 -0.921628D-01 -0.522459D+01 -0.451857D+01
      4   0.273734D+01 -0.430928D+01 -0.965037D-01 -0.113187D+02  0.966837D+01
      5  -0.543514D+01 -0.373146D+01 -0.117519D+02  0.115559D+02  0.306180D+02
      6   0.388400D+01  0.734383D+01  0.532432D+01 -0.103553D+02 -0.178343D+02
               106           107           108           109           110 
      1   0.161520D+02 -0.402793D+00 -0.704387D+00  0.210774D+02 -0.146379D+02
      2  -0.334316D+01 -0.518702D+01  0.280148D+01 -0.128027D+02  0.675651D+01
      3  -0.128088D+02  0.558982D+01 -0.209709D+01 -0.827471D+01  0.788142D+01
      4  -0.997729D+01  0.200288D+02  0.250268D+02 -0.205389D+02  0.172938D+02
      5  -0.201988D+02  0.257058D+02  0.194004D+02 -0.301552D+02  0.984966D+01
      6   0.129376D+02 -0.203014D+02 -0.130727D+02  0.113345D+02 -0.317306D+01
               111           112           113           114           115 
      1  -0.227306D+02 -0.125680D+02 -0.687565D+01 -0.594946D+01 -0.260247D+02
      2   0.144352D+02  0.343497D+01  0.154484D+02  0.456384D+01  0.166785D+02
      3   0.829536D+01  0.913305D+01 -0.857276D+01  0.138562D+01  0.934628D+01
      4   0.125218D+02  0.274981D+02 -0.333138D+02 -0.251231D+02  0.229253D+02
      5   0.221836D+02  0.179246D+02 -0.272155D+02 -0.280021D+02  0.370994D+02
      6  -0.546036D+01 -0.823059D+01  0.238373D+02  0.260282D+02 -0.139382D+02
               116           117           118           119           120 
      1  -0.489379D+01 -0.454652D+01  0.686795D+01 -0.369472D+01  0.122692D+02
      2   0.505507D+01 -0.152714D+02 -0.657032D+01  0.768462D+01 -0.808839D+01
      3  -0.161281D+00  0.198179D+02 -0.297635D+00 -0.398990D+01 -0.418080D+01
      4  -0.297574D+02 -0.266356D+02  0.114554D+01 -0.760354D+01 -0.315783D+01
      5  -0.295200D+02 -0.686089D+02  0.110170D+02  0.110184D+01  0.727568D+01
      6   0.262646D+02  0.358700D+02 -0.391097D+01 -0.167784D+01 -0.137431D+01
               121           122           123           124           125 
      1   0.209476D+01 -0.598467D+01  0.365124D+01  0.155083D+02  0.147762D+01
      2   0.780849D+01 -0.125996D+02 -0.141987D+01 -0.871421D+01 -0.288018D+01
      3  -0.990325D+01  0.185842D+02 -0.223137D+01 -0.679406D+01  0.140256D+01
      4  -0.161240D+02  0.421111D+02  0.198795D+01 -0.948535D+01  0.126676D+02
      5   0.116869D+01  0.171401D+01 -0.154286D+01  0.166431D+02 -0.110672D+02
      6  -0.352105D+01  0.219748D+01  0.719926D+01 -0.431576D+01  0.129853D+02
               126           127           128           129           130 
      1  -0.120639D+01 -0.659274D+00 -0.216005D+00  0.344812D+01 -0.295107D+01
      2  -0.689489D+01 -0.567504D+01 -0.120001D+01  0.555628D+01 -0.600312D+00
      3   0.810128D+01  0.633432D+01  0.141602D+01 -0.900440D+01  0.355138D+01
      4  -0.103935D+02  0.569355D+00  0.222530D+01 -0.742833D+00  0.105643D+01
      5   0.308049D+02 -0.970401D+01 -0.259818D+01  0.121077D+02 -0.292377D+01
      6  -0.165161D+02  0.269333D+00 -0.184999D+01 -0.643537D+00 -0.117693D+01
               131           132           133           134           135 
      1  -0.359390D+01  0.755084D+01  0.383745D+01  0.454269D+01 -0.242681D+02
      2  -0.623341D+00  0.314587D+01  0.683159D+01  0.194135D+01 -0.149286D+02
      3   0.421724D+01 -0.106967D+02 -0.106690D+02 -0.648404D+01  0.391968D+02
      4   0.104995D+01 -0.144109D+01 -0.211989D+01 -0.340256D+01  0.168316D+01
      5  -0.287818D+01  0.445886D+01  0.122318D+02  0.406660D+01 -0.196813D+02
      6  -0.295092D+01  0.214735D+01  0.909300D+00  0.544693D+01 -0.226649D+01
               136           137           138           139           140 
      1   0.572781D+01 -0.781733D-01 -0.103968D+01  0.502641D+00 -0.122932D+01
      2  -0.687342D+01  0.937167D+00 -0.481556D+01  0.204918D+01 -0.688232D+00
      3   0.114562D+01 -0.858994D+00  0.585524D+01 -0.255182D+01  0.191755D+01
      4  -0.174622D+01  0.425852D+01 -0.108507D+01  0.359393D+01 -0.343733D+01
      5   0.130687D+02 -0.291768D+01  0.107794D+02 -0.470995D+01  0.340787D+01
      6  -0.353860D+00  0.195323D+01 -0.742100D+00  0.117362D+01 -0.291956D+01
               141           142           143           144           145 
      1   0.496699D+01 -0.395037D+01  0.406533D+01 -0.130608D+02 -0.273301D+01
      2   0.264286D+01 -0.607188D+01  0.126318D+01 -0.941320D+01 -0.271754D+01
      3  -0.760986D+01  0.100222D+02 -0.532851D+01  0.224740D+02  0.545055D+01
      4   0.150008D+01 -0.151682D+01  0.292170D+01 -0.234445D+01  0.552366D+01
      5  -0.602852D+01  0.132908D+02 -0.430430D+01  0.169804D+02 -0.930357D+01
      6   0.200729D+01 -0.168509D+01  0.470452D+01 -0.341848D+01 -0.606409D+01
               146           147           148           149           150 
      1  -0.197583D+01  0.542781D+01 -0.273477D+01 -0.481244D+01  0.864395D+01
      2   0.552333D+00  0.275786D+01 -0.454223D+00  0.779119D+00  0.345719D+00
      3   0.142349D+01 -0.818567D+01  0.318899D+01  0.403332D+01 -0.898967D+01
      4   0.389267D+01 -0.545051D+01  0.245449D+01  0.194052D+01 -0.303693D+01
      5  -0.355753D+01  0.118060D+02 -0.359792D+01 -0.285417D+01  0.438365D+01
      6  -0.371765D+01  0.632396D+01 -0.327156D+01 -0.532681D+01  0.886894D+01
               151           152           153           154           155 
      1   0.775424D+01  0.107734D+02 -0.292150D+02  0.223816D+01  0.245641D+01
      2   0.208711D+01 -0.301057D+01 -0.551304D+01 -0.335272D+01 -0.226147D+01
      3  -0.984135D+01 -0.776283D+01  0.347280D+02  0.111455D+01 -0.194935D+00
      4  -0.570567D+01 -0.535532D+01  0.801329D+01 -0.103455D+02  0.714882D+01
      5   0.110073D+02  0.533599D+01 -0.176069D+02  0.156176D+02 -0.573994D+01
      6   0.860111D+01  0.126707D+02 -0.233045D+02 -0.906003D+01  0.574627D+01
               156           157           158           159           160 
      1  -0.191792D+01  0.497376D+00 -0.369176D+01  0.561417D+01 -0.420322D+01
      2  -0.247808D+01  0.800409D+00  0.176428D+01 -0.617400D-02 -0.275572D+01
      3   0.439600D+01 -0.129779D+01  0.192748D+01 -0.560800D+01  0.695894D+01
      4  -0.817277D+01  0.518650D+01 -0.535756D+01  0.569715D+01 -0.869029D+01
      5   0.140965D+02 -0.698514D+01  0.502889D+01 -0.769049D+01  0.153874D+02
      6  -0.869423D+01  0.531554D+01 -0.611796D+01  0.851998D+01 -0.104708D+02
               161           162           163           164           165 
      1   0.812864D+01 -0.162856D+02  0.723730D+01 -0.326837D-01 -0.827109D+01
      2  -0.343187D+01 -0.300360D+01 -0.783698D+01 -0.444113D+00  0.694457D+01
      3  -0.469677D+01  0.192892D+02  0.599687D+00  0.476796D+00  0.132652D+01
      4   0.723541D+01 -0.108211D+02 -0.234489D+01  0.708037D+01  0.427441D+01
      5  -0.765418D+01  0.209123D+02 -0.147604D+02  0.270845D+01  0.152956D+02
      6   0.116388D+02 -0.188803D+02  0.240939D+01 -0.141333D+01 -0.229227D+01
               166           167           168           169           170 
      1   0.762747D+01  0.187375D+01 -0.200085D+01 -0.148599D+02 -0.295712D+01
      2  -0.496576D+01 -0.733357D+00  0.128259D+01  0.135284D+02  0.333032D+00
      3  -0.266171D+01 -0.114039D+01  0.718260D+00  0.133159D+01  0.262409D+01
      4   0.783476D+01 -0.446485D+01 -0.494301D+01  0.587810D+01 -0.829242D+01
      5  -0.494663D+00 -0.518066D+01  0.734736D+00  0.226937D+02 -0.855681D+01
      6  -0.163083D+01  0.150472D+01  0.539269D+01 -0.529972D+01  0.657470D+01
               171           172           173           174           175 
      1  -0.458891D+01  0.211802D+02 -0.940159D+01  0.412371D+01 -0.140067D+02
      2  -0.138066D+02 -0.387050D+01 -0.351528D+00 -0.987327D+00 -0.306974D+01
      3   0.183955D+02 -0.173097D+02  0.975312D+01 -0.313639D+01  0.170764D+02
      4  -0.115212D+02 -0.221930D+02  0.243883D+02 -0.215435D+01  0.352272D+02
      5  -0.453552D+02  0.538762D+01 -0.927537D+00  0.524460D+01 -0.171668D+01
      6   0.122944D+02 -0.149156D+01  0.860992D-01 -0.131133D+01  0.966344D+00
               176           177           178           179           180 
      1   0.394423D+00  0.468223D+00  0.189172D+02  0.108529D+01  0.192409D+01
      2   0.214402D+02 -0.284056D+01 -0.547937D+01 -0.475384D+01 -0.324305D+00
      3  -0.218346D+02  0.237234D+01 -0.134378D+02  0.366856D+01 -0.159978D+01
      4  -0.525506D+02  0.718013D+01 -0.954539D+01  0.166296D+02 -0.946677D+01
      5   0.657610D+01 -0.575359D+01  0.976756D+01 -0.816307D+01  0.268046D+01
      6  -0.213506D+01  0.472281D+01 -0.375091D+01  0.579059D+01 -0.239999D+01
               181           182           183           184           185 
      1  -0.125466D+01 -0.219317D+01  0.123302D+02 -0.713744D+01 -0.116128D+02
      2  -0.339720D+01  0.461546D-01 -0.347516D+01  0.274620D+01  0.517018D+01
      3   0.465187D+01  0.214702D+01 -0.885501D+01  0.439124D+01  0.644261D+01
      4  -0.399796D+01 -0.385628D+01  0.272353D+00 -0.322479D+01  0.110491D+01
      5   0.808284D+01 -0.139944D+00 -0.231551D+01  0.100386D+01  0.464648D+01
      6   0.162925D+01  0.961961D-01 -0.160633D+01 -0.485370D+00  0.315638D+00
               186           187           188           189           190 
      1  -0.405244D+00  0.208010D+02 -0.467201D+00 -0.252157D+02 -0.564435D+02
      2   0.940479D+00 -0.873582D+01  0.110452D+01 -0.877836D+01  0.328093D+02
      3  -0.535236D+00 -0.120652D+02 -0.637320D+00  0.339940D+02  0.236342D+02
      4   0.420737D+01  0.167836D+01  0.573443D+01 -0.182444D+01 -0.178813D+02
      5  -0.648850D-01 -0.116329D+01 -0.355246D+00  0.516592D+02  0.288166D+01
      6   0.688658D+01 -0.401550D+00  0.355371D+01  0.721766D+01  0.258732D+01
               191           192           193           194           195 
      1   0.143985D+02  0.214481D+01  0.633034D+01 -0.102906D+02 -0.819662D+00
      2  -0.144038D+02 -0.804856D+00 -0.743731D+01  0.952141D+01  0.179440D+01
      3   0.530648D-02 -0.133995D+01  0.110697D+01  0.769150D+00 -0.974735D+00
      4  -0.336337D+01  0.233350D+01  0.160742D+01 -0.629593D+00  0.242277D+01
      5   0.120229D+01 -0.141639D+01  0.394794D-01  0.281549D+01  0.722084D+00
      6   0.430774D+00 -0.338712D+01  0.901661D+00  0.152964D+01  0.204314D+01
               196           197           198           199           200 
      1   0.368670D+01 -0.255138D+01 -0.566850D+01  0.206039D+01  0.212659D+01
      2  -0.117365D+01  0.347459D+01  0.223407D+01 -0.173286D+01  0.139670D+01
      3  -0.251305D+01 -0.923216D+00  0.343444D+01 -0.327536D+00 -0.352328D+01
      4   0.125255D+01  0.412462D+01  0.184180D+01  0.618785D+01  0.960156D+01
      5   0.108481D+01  0.296961D+01 -0.336094D+01 -0.109887D+02 -0.346068D+01
      6  -0.230964D+01  0.362808D+01 -0.142920D+01 -0.425559D+01 -0.203525D+01
               201           202           203           204           205 
      1  -0.767601D+01 -0.523754D+00 -0.123485D+00  0.294193D+01 -0.111946D+02
      2   0.589371D+01  0.244429D+01  0.168791D+01 -0.293986D+01  0.807477D+01
      3   0.178231D+01 -0.192054D+01 -0.156443D+01 -0.207122D-02  0.311983D+01
      4  -0.568923D+01  0.680529D+01  0.730481D+01 -0.566615D+01 -0.885334D+01
      5   0.144231D+02 -0.605164D+00 -0.607047D+01  0.348089D+01  0.163575D+02
      6   0.564606D+01 -0.165782D+01 -0.350525D+01  0.788455D+01  0.767483D+01
               206           207           208           209           210 
      1   0.558616D+01 -0.645729D+01  0.128969D+02  0.100853D+02  0.558649D+01
      2  -0.524736D+01 -0.904923D+01  0.274274D+01  0.766285D+01 -0.119114D+00
      3  -0.338800D+00  0.155065D+02 -0.156397D+02 -0.177481D+02 -0.546738D+01
      4  -0.132906D+02  0.170886D+02  0.272635D+02  0.339564D+02  0.846683D+01
      5   0.145526D+02 -0.510468D+02  0.803402D+01  0.593836D+01  0.904807D+01
      6   0.128129D+02 -0.293851D+02  0.525468D+01  0.466338D+01  0.620021D+01
               211           212           213           214           215 
      1   0.926154D+01 -0.350663D+01 -0.132760D+01  0.919678D+01 -0.254709D+01
      2   0.900753D+01  0.338513D+02  0.856624D+01 -0.115376D+00  0.130536D+02
      3  -0.182691D+02 -0.303447D+02 -0.723865D+01 -0.908140D+01 -0.105065D+02
      4   0.345961D+02  0.594451D+02  0.161647D+02  0.157730D+02  0.275222D+02
      5   0.685370D+01  0.145970D+02  0.106576D+02  0.115995D+02  0.145656D+02
      6   0.581287D+01  0.131785D+02  0.102943D+02  0.778877D+01  0.129427D+02
               216           217           218           219           220 
      1   0.118586D+01  0.287200D+02  0.107332D+01 -0.213517D+02  0.323184D+01
      2   0.271433D+01 -0.167459D+02 -0.303023D+00  0.120887D+02 -0.122325D+01
      3  -0.390019D+01 -0.119742D+02 -0.770302D+00  0.926295D+01 -0.200858D+01
      4   0.165452D+02  0.209945D+01  0.888519D+01  0.374208D+00  0.156280D+02
      5   0.922750D+01 -0.224358D+02  0.870703D+00  0.248662D+02  0.418620D+00
      6   0.836863D+01 -0.509866D+00  0.218352D+00  0.495645D+00 -0.805406D+00
               221           222           223           224           225 
      1   0.112789D+02  0.919661D+00 -0.485129D+02  0.188596D+01  0.304143D+02
      2  -0.570518D+01 -0.823940D+00  0.284460D+02 -0.157246D+01 -0.238965D+02
      3  -0.557370D+01 -0.957211D-01  0.200669D+02 -0.313504D+00 -0.651782D+01
      4  -0.170581D+01 -0.525297D+01  0.793044D-01 -0.106294D+02  0.828347D+00
      5  -0.505050D+01  0.809487D+00  0.437043D+02 -0.191921D+00 -0.712101D+02
      6  -0.569605D+00  0.423376D+01  0.180710D+01  0.421738D+01 -0.240690D+01
               226           227           228           229           230 
      1   0.260602D+02 -0.212754D+02  0.107970D+02 -0.425523D+02  0.300969D+02
      2  -0.126561D+02  0.102260D+02 -0.588089D+01  0.209131D+02 -0.101175D+02
      3  -0.134041D+02  0.110494D+02 -0.491607D+01  0.216392D+02 -0.199794D+02
      4  -0.220263D+02  0.244752D+02 -0.732882D+01  0.412259D+02 -0.646448D+02
      5   0.127097D+02 -0.822509D+01  0.122051D+02 -0.149910D+02  0.251402D+02
      6  -0.273595D+01  0.215904D+01 -0.104332D+01  0.471578D+01 -0.752738D+01
               231           232           233           234           235 
      1  -0.906431D+01  0.207353D+02 -0.777234D+01  0.143726D+02  0.585272D+02
      2   0.575633D+01 -0.117604D+02  0.510224D+01 -0.104009D+02 -0.282496D+02
      3   0.330797D+01 -0.897489D+01  0.267010D+01 -0.397167D+01 -0.302776D+02
      4   0.234808D+02 -0.117137D+02  0.246837D+02 -0.154757D+02  0.339029D+02
      5  -0.195407D+02  0.221901D+02 -0.168049D+02  0.148159D+02  0.247346D+02
      6   0.609053D+01 -0.243208D+01  0.634980D+01 -0.438620D+01  0.551469D+01
               236           237           238           239           240 
      1   0.279182D+02  0.194669D+02  0.554058D+02  0.306110D+02  0.134162D+02
      2  -0.123832D+02 -0.104917D+02 -0.244173D+02 -0.888767D+01 -0.668005D+01
      3  -0.155350D+02 -0.897517D+01 -0.309885D+02 -0.217234D+02 -0.673611D+01
      4   0.279793D+02  0.120172D+02  0.472881D+02  0.447583D+02  0.229929D+02
      5   0.125070D+02  0.201317D+02  0.224548D+02  0.237825D+02  0.212357D+02
      6   0.326698D+01  0.302443D+01  0.729462D+01  0.777374D+01  0.694388D+01
               241           242           243           244           245 
      1   0.351609D+02  0.113165D+02  0.211637D+02  0.231881D+01  0.386923D+01
      2  -0.190936D+02 -0.555696D+01 -0.139040D+02 -0.373029D+01 -0.207935D+01
      3  -0.160673D+02 -0.575953D+01 -0.725970D+01  0.141147D+01 -0.178988D+01
      4   0.189616D+02  0.240773D+02  0.169692D+02  0.662070D+01  0.726057D+01
      5   0.331699D+02  0.174689D+02  0.215298D+02 -0.115120D+02 -0.297154D+01
      6   0.604214D+01  0.700443D+01  0.622396D+01 -0.474969D+01 -0.767821D+00
               246           247           248           249           250 
      1  -0.638010D+01  0.438005D+01 -0.829959D-01  0.201987D+01 -0.818471D+01
      2   0.470016D+01 -0.200438D+01  0.126224D+01 -0.148404D+01  0.739051D+01
      3   0.167994D+01 -0.237567D+01 -0.117924D+01 -0.535828D+00  0.794196D+00
      4  -0.397961D+01  0.109352D+02  0.738310D+01 -0.829094D+01 -0.606804D+01
      5   0.123766D+02 -0.385474D+01 -0.846983D+01  0.113467D+02  0.165498D+02
      6   0.271130D+01 -0.227310D+01 -0.632583D+01  0.832398D+01  0.438422D+01
               251           252           253           254           255 
      1   0.230281D+01 -0.437105D+01 -0.880515D+02 -0.910031D+01  0.696483D+01
      2   0.552619D+00 -0.916348D+01  0.436428D+02  0.134052D+02 -0.495743D+01
      3  -0.285543D+01  0.135345D+02  0.444088D+02 -0.430488D+01 -0.200739D+01
      4  -0.107457D+02  0.113400D+02 -0.142244D+02  0.253599D+02  0.108705D+02
      5   0.101186D+02 -0.359180D+02  0.103224D+02  0.782590D+01  0.143671D+02
      6   0.786026D+01 -0.133548D+02  0.849022D+01  0.653992D+01  0.534008D+01
               256           257           258           259           260 
      1   0.105608D+02  0.370760D+02  0.296563D+01  0.278681D+02  0.350789D+01
      2  -0.646719D+00 -0.400399D+02 -0.719946D+01 -0.120564D+02 -0.332739D+01
      3  -0.991411D+01  0.296391D+01  0.423384D+01 -0.158116D+02 -0.180504D+00
      4   0.280299D+02 -0.264305D+02  0.582469D+01  0.206752D+02  0.150627D+02
      5   0.120431D+02  0.872792D+01  0.190056D+02  0.206534D+02  0.207998D+02
      6   0.694125D+01 -0.408092D+01  0.638693D+01  0.901564D+01  0.854601D+01
               261           262           263           264           265 
      1   0.158252D+02  0.791565D+01 -0.866127D+01  0.255755D+01 -0.799856D+01
      2   0.623476D+01  0.118880D+01 -0.929526D+00 -0.208046D+00 -0.719168D+01
      3  -0.220600D+02 -0.910445D+01  0.959080D+01 -0.234950D+01  0.151902D+02
      4   0.243301D+02 -0.147893D+02  0.183811D+02 -0.391745D+01  0.287959D+02
      5  -0.192595D+02  0.520118D+01 -0.428131D+01  0.375749D+01 -0.726865D+01
      6  -0.294374D+01 -0.319426D+01  0.310536D+01 -0.149264D+01  0.553047D+01
               266           267           268           269           270 
      1  -0.228692D+01  0.103365D+00  0.287021D+00  0.120963D+01 -0.402967D+00
      2   0.295211D+02 -0.460191D+01 -0.186235D+01  0.299573D+01  0.126321D+01
      3  -0.272342D+02  0.449855D+01  0.157533D+01 -0.420536D+01 -0.860246D+00
      4  -0.595106D+02  0.118701D+02  0.195201D+01 -0.350936D+01 -0.424235D+01
      5   0.128654D+02 -0.102770D+02  0.321155D+01 -0.423592D+01  0.401330D+01
      6  -0.127961D+02  0.713859D+01 -0.177319D+01  0.426580D+01 -0.258883D+01
               271           272           273           274           275 
      1   0.523534D+01 -0.618815D+00  0.627200D+01 -0.737283D+01 -0.670333D+01
      2  -0.604153D+01 -0.110335D+01 -0.229722D+01  0.336757D+01  0.294504D+01
      3   0.806193D+00  0.172216D+01 -0.397477D+01  0.400526D+01  0.375829D+01
      4  -0.198773D+01 -0.370597D+01  0.651915D-01 -0.386375D+01 -0.431636D+01
      5   0.384183D+01 -0.163905D+01  0.630901D-01 -0.442360D+01  0.387576D+01
      6  -0.306483D+00 -0.156659D+01 -0.112627D+01 -0.988616D+00 -0.476255D+00
               276           277           278           279           280 
      1  -0.289863D+00  0.103670D+02 -0.831881D-01 -0.122997D+02  0.134000D+03
      2   0.518889D+01 -0.678889D+01  0.441183D+01 -0.161084D+02 -0.634013D+02
      3  -0.489902D+01 -0.357807D+01 -0.432864D+01  0.284081D+02 -0.705991D+02
      4   0.431562D+01  0.440714D+01  0.836802D+01 -0.416589D+01  0.445939D+02
      5  -0.990421D+01  0.100509D+02 -0.303770D+01  0.446828D+02  0.113512D+02
      6   0.106264D+01  0.149399D+01  0.354476D+01  0.128476D+02 -0.404840D+00
               281           282           283           284           285 
      1   0.119877D+02 -0.640175D+00 -0.400257D+01  0.800190D+01 -0.180543D+00
      2  -0.235191D+01 -0.640594D+00  0.515693D+01 -0.354294D+00  0.540147D+00
      3  -0.963576D+01  0.128077D+01 -0.115435D+01 -0.764761D+01 -0.359604D+00
      4   0.186350D+02  0.109929D+01  0.143440D+02  0.743138D+01 -0.104953D+01
      5   0.182513D+01  0.132548D+02 -0.108146D+01 -0.657683D+00 -0.220349D+01
      6   0.179418D+01  0.376128D+01  0.690512D+00  0.529258D+00  0.208262D+00
               286           287           288           289           290 
      1  -0.156477D+02 -0.165288D+01  0.954963D+01  0.822615D+00  0.148516D+02
      2   0.606004D+01 -0.959889D-01 -0.699714D+01  0.323069D+01 -0.146552D+02
      3   0.958763D+01  0.174886D+01 -0.255249D+01 -0.405331D+01 -0.196444D+00
      4  -0.681958D+01 -0.481328D+01  0.139135D+01  0.483230D+01 -0.667130D+01
      5   0.130067D+02 -0.560961D+00 -0.213175D+00 -0.196132D+01 -0.542522D+00
      6   0.345243D+01  0.638333D+00 -0.506523D+00  0.507282D-02 -0.296942D+01
               291           292           293           294           295 
      1   0.344881D+00  0.116082D+02 -0.339141D+02 -0.316523D+01 -0.413642D+01
      2  -0.315882D+00 -0.466211D+01  0.554744D+02  0.343085D+01  0.133690D+01
      3  -0.289991D-01 -0.694604D+01 -0.215604D+02 -0.265617D+00  0.279952D+01
      4  -0.231051D+01  0.103492D+02  0.601742D+02  0.617550D+01 -0.306917D+01
      5  -0.291884D+01  0.290466D+01  0.344749D+01  0.689859D+01 -0.418348D+00
      6  -0.259811D+01  0.380315D+00  0.122062D+02  0.764731D+01 -0.567485D+00
               296           297 
      1  -0.130051D+01 -0.639349D+01
      2  -0.127682D+01  0.461278D+01
      3   0.257733D+01  0.178070D+01
      4  -0.341085D+01  0.403326D+01
      5   0.503716D+01  0.254824D+01
      6   0.712989D+01  0.156783D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 17:22:26 2021, MaxMem=  6442450944 cpu:          127023.4 elap:           15883.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52720 -19.47146 -10.58076 -10.46396 -10.45576
 Alpha  occ. eigenvalues --  -10.44957 -10.44456 -10.44334 -10.44197 -10.44187
 Alpha  occ. eigenvalues --  -10.44050 -10.43868 -10.43516 -10.42402 -10.41988
 Alpha  occ. eigenvalues --   -1.25915  -1.15851  -1.01717  -0.96909  -0.94255
 Alpha  occ. eigenvalues --   -0.88930  -0.88565  -0.82079  -0.81877  -0.79938
 Alpha  occ. eigenvalues --   -0.75270  -0.73318  -0.70718  -0.68647  -0.63879
 Alpha  occ. eigenvalues --   -0.62264  -0.60370  -0.59870  -0.58429  -0.57059
 Alpha  occ. eigenvalues --   -0.56231  -0.55636  -0.54749  -0.53623  -0.53205
 Alpha  occ. eigenvalues --   -0.51812  -0.50351  -0.49522  -0.49373  -0.48595
 Alpha  occ. eigenvalues --   -0.47516  -0.46873  -0.45421  -0.44155  -0.43902
 Alpha  occ. eigenvalues --   -0.43521  -0.42583  -0.42149  -0.39698  -0.35464
 Alpha  occ. eigenvalues --   -0.33539
 Alpha virt. eigenvalues --   -0.01368  -0.00877  -0.00576  -0.00288   0.00445
 Alpha virt. eigenvalues --    0.00539   0.00933   0.01579   0.02077   0.02259
 Alpha virt. eigenvalues --    0.02551   0.02783   0.02962   0.04243   0.04639
 Alpha virt. eigenvalues --    0.04783   0.04944   0.05616   0.05691   0.06121
 Alpha virt. eigenvalues --    0.06852   0.07391   0.07743   0.08088   0.08739
 Alpha virt. eigenvalues --    0.09399   0.09658   0.09851   0.10064   0.10605
 Alpha virt. eigenvalues --    0.11070   0.11142   0.11341   0.11565   0.12127
 Alpha virt. eigenvalues --    0.12311   0.12432   0.12984   0.13119   0.13354
 Alpha virt. eigenvalues --    0.13770   0.13864   0.14325   0.14760   0.15116
 Alpha virt. eigenvalues --    0.15252   0.15899   0.16009   0.16156   0.16549
 Alpha virt. eigenvalues --    0.17145   0.17617   0.18109   0.18566   0.19041
 Alpha virt. eigenvalues --    0.19227   0.19823   0.20090   0.20318   0.21022
 Alpha virt. eigenvalues --    0.21813   0.22030   0.22344   0.23237   0.23525
 Alpha virt. eigenvalues --    0.23775   0.24292   0.24892   0.25497   0.25883
 Alpha virt. eigenvalues --    0.26639   0.26691   0.27167   0.27302   0.27591
 Alpha virt. eigenvalues --    0.27967   0.28399   0.28775   0.28977   0.29298
 Alpha virt. eigenvalues --    0.29832   0.29982   0.30298   0.30579   0.30876
 Alpha virt. eigenvalues --    0.31249   0.31780   0.32367   0.32585   0.33175
 Alpha virt. eigenvalues --    0.33298   0.33870   0.34007   0.34509   0.35196
 Alpha virt. eigenvalues --    0.35409   0.36104   0.36443   0.37085   0.37806
 Alpha virt. eigenvalues --    0.38038   0.38459   0.39479   0.39582   0.39898
 Alpha virt. eigenvalues --    0.40362   0.40691   0.41177   0.41261   0.41918
 Alpha virt. eigenvalues --    0.42260   0.42553   0.42682   0.42910   0.43312
 Alpha virt. eigenvalues --    0.43731   0.44459   0.44629   0.45069   0.45184
 Alpha virt. eigenvalues --    0.45515   0.45767   0.46717   0.47359   0.47998
 Alpha virt. eigenvalues --    0.48392   0.48868   0.49557   0.49666   0.50351
 Alpha virt. eigenvalues --    0.50506   0.51220   0.51525   0.51953   0.52230
 Alpha virt. eigenvalues --    0.52370   0.52907   0.53783   0.53808   0.54062
 Alpha virt. eigenvalues --    0.54614   0.55079   0.55870   0.55926   0.56348
 Alpha virt. eigenvalues --    0.56622   0.57168   0.57452   0.58267   0.58652
 Alpha virt. eigenvalues --    0.58858   0.59326   0.59789   0.60084   0.60852
 Alpha virt. eigenvalues --    0.61069   0.61283   0.61797   0.62452   0.62701
 Alpha virt. eigenvalues --    0.63287   0.63619   0.64208   0.64411   0.64755
 Alpha virt. eigenvalues --    0.65231   0.65888   0.66394   0.66713   0.66979
 Alpha virt. eigenvalues --    0.67299   0.68094   0.68476   0.68908   0.69098
 Alpha virt. eigenvalues --    0.69536   0.69625   0.70196   0.70525   0.70916
 Alpha virt. eigenvalues --    0.71293   0.71715   0.72351   0.72992   0.73246
 Alpha virt. eigenvalues --    0.74097   0.74172   0.74475   0.74821   0.75322
 Alpha virt. eigenvalues --    0.75757   0.76429   0.76723   0.77510   0.78052
 Alpha virt. eigenvalues --    0.78264   0.79254   0.79400   0.79996   0.80970
 Alpha virt. eigenvalues --    0.81276   0.81809   0.81937   0.82638   0.83257
 Alpha virt. eigenvalues --    0.83614   0.84046   0.85172   0.85403   0.85849
 Alpha virt. eigenvalues --    0.86740   0.86915   0.87884   0.88199   0.88316
 Alpha virt. eigenvalues --    0.89420   0.89681   0.90344   0.91096   0.91171
 Alpha virt. eigenvalues --    0.91975   0.92890   0.92991   0.94149   0.95046
 Alpha virt. eigenvalues --    0.96026   0.96399   0.96440   0.98109   0.98616
 Alpha virt. eigenvalues --    0.99639   1.00011   1.00726   1.01002   1.02185
 Alpha virt. eigenvalues --    1.03373   1.04455   1.05096   1.05709   1.06775
 Alpha virt. eigenvalues --    1.08369   1.08487   1.08798   1.10100   1.11176
 Alpha virt. eigenvalues --    1.12429   1.12898   1.13346   1.13511   1.14938
 Alpha virt. eigenvalues --    1.15926   1.17814   1.18830   1.20180   1.20578
 Alpha virt. eigenvalues --    1.21175   1.21470   1.22670   1.22969   1.23792
 Alpha virt. eigenvalues --    1.25361   1.25685   1.26861   1.27229   1.28362
 Alpha virt. eigenvalues --    1.29238   1.31492   1.32213   1.33246   1.35460
 Alpha virt. eigenvalues --    1.37036   1.39931   1.39972   1.41069   1.41699
 Alpha virt. eigenvalues --    1.42437   1.43946   1.44237   1.45269   1.46014
 Alpha virt. eigenvalues --    1.46530   1.48966   1.50513   1.50799   1.51420
 Alpha virt. eigenvalues --    1.52675   1.53264   1.53991   1.54184   1.55574
 Alpha virt. eigenvalues --    1.55942   1.57631   1.58896   1.60329   1.60794
 Alpha virt. eigenvalues --    1.61850   1.62664   1.63042   1.64164   1.65298
 Alpha virt. eigenvalues --    1.65386   1.66799   1.67289   1.67493   1.68628
 Alpha virt. eigenvalues --    1.70106   1.70618   1.71159   1.72604   1.73558
 Alpha virt. eigenvalues --    1.73929   1.75300   1.76874   1.77276   1.77834
 Alpha virt. eigenvalues --    1.77943   1.79703   1.80250   1.81015   1.81227
 Alpha virt. eigenvalues --    1.82397   1.82728   1.83645   1.83970   1.85041
 Alpha virt. eigenvalues --    1.86423   1.86762   1.87288   1.89011   1.89823
 Alpha virt. eigenvalues --    1.90403   1.91019   1.92912   1.93883   1.94784
 Alpha virt. eigenvalues --    1.95178   1.95690   1.97275   1.97568   1.98427
 Alpha virt. eigenvalues --    1.98640   1.99341   1.99563   2.00476   2.01153
 Alpha virt. eigenvalues --    2.02929   2.03262   2.04876   2.05298   2.05841
 Alpha virt. eigenvalues --    2.06465   2.07685   2.07977   2.09205   2.10689
 Alpha virt. eigenvalues --    2.10850   2.11589   2.12685   2.13691   2.15094
 Alpha virt. eigenvalues --    2.15887   2.17090   2.17811   2.17912   2.18066
 Alpha virt. eigenvalues --    2.19413   2.21011   2.21519   2.22549   2.23682
 Alpha virt. eigenvalues --    2.23966   2.25062   2.25809   2.27926   2.28406
 Alpha virt. eigenvalues --    2.29396   2.30385   2.31857   2.32565   2.34459
 Alpha virt. eigenvalues --    2.34901   2.35793   2.36818   2.37489   2.37856
 Alpha virt. eigenvalues --    2.38783   2.39236   2.40346   2.41283   2.43622
 Alpha virt. eigenvalues --    2.45258   2.46017   2.46220   2.49609   2.51617
 Alpha virt. eigenvalues --    2.52453   2.54334   2.54514   2.55743   2.56725
 Alpha virt. eigenvalues --    2.57473   2.60029   2.61215   2.63597   2.64030
 Alpha virt. eigenvalues --    2.65606   2.66053   2.66595   2.67957   2.69681
 Alpha virt. eigenvalues --    2.72726   2.73380   2.75403   2.75638   2.76369
 Alpha virt. eigenvalues --    2.77988   2.80555   2.83324   2.85128   2.87938
 Alpha virt. eigenvalues --    2.89950   2.92363   2.94021   2.95723   2.97830
 Alpha virt. eigenvalues --    3.01532   3.09819   3.11792   3.12961   3.14077
 Alpha virt. eigenvalues --    3.16949   3.23239   3.30735   3.39456   3.42455
 Alpha virt. eigenvalues --    3.46458   3.47699   3.48814   3.53170   3.53822
 Alpha virt. eigenvalues --    3.56646   3.59156   3.62664   3.67631   3.74324
 Alpha virt. eigenvalues --    3.77670   3.87697   3.96658   4.10462   4.78360
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   57.740460 -22.170999 -25.888027  12.514038 -14.968782   5.039998
     2  C  -22.170999  36.293013  13.204101 -13.257556   5.263672 -14.000132
     3  C  -25.888027  13.204101  57.135147 -20.798719   4.606717 -14.548228
     4  C   12.514038 -13.257556 -20.798719  38.966950 -14.073799   5.255231
     5  C  -14.968782   5.263672   4.606717 -14.073799  46.189381 -18.873284
     6  C    5.039998 -14.000132 -14.548228   5.255231 -18.873284  44.970549
     7  C   -5.099458  -1.325005   0.857824  -2.397725   1.189461  -1.017244
     8  C   -0.933602   0.263766   0.056047  -0.259952   0.245484  -0.248135
     9  C    0.640220  -0.163117  -0.130847   0.055912  -0.245969  -0.153388
    10  C   -0.189999  -0.085030  -0.006979  -0.001979   0.088189   0.068603
    11  C    1.001874  -1.550751  -4.610014  -4.677749  -1.358667   0.982558
    12  C    0.215213  -0.164124  -1.266310   0.627242  -0.605582  -0.025222
    13  O   -0.036020   0.009720   0.043846   0.139592   0.034130   0.014009
    14  O   -0.101655   0.000798   0.153658   0.162710   0.015356  -0.016038
    15  H   -5.402104   3.025221   1.792903  -1.134837   0.081723   0.384975
    16  H    1.992148  -0.694769  -4.992921   1.703213   0.417928  -0.156469
    17  H   -0.165924  -0.254819   0.015811   1.463698  -3.765530   1.751368
    18  H   -0.076004   1.134780  -0.098296  -0.110668   1.940607  -3.569420
    19  H    0.952244  -0.068749   0.372811   0.163187  -0.262189  -0.622747
    20  H   -0.102856   0.034109  -0.153582   0.085738   0.260988   0.472286
    21  H    0.032810   0.004279   0.112789   0.059959   0.124301   0.013472
    22  H    0.150922  -0.022352  -0.155941   0.096117  -0.014395   0.021708
    23  H    0.064491   0.058440   0.077829   0.006461   0.023169  -0.023594
    24  H   -0.059952   0.017296   0.016095  -0.013765   0.008068   0.001144
    25  H    0.007439   0.074578   0.017979   0.003564   0.001210   0.027030
    26  H    0.012065   0.207715  -0.006851   0.016201   0.010057  -0.018310
    27  H   -0.005293  -0.144860  -0.007176  -0.007050  -0.005774  -0.015831
    28  H    0.026222  -0.024894  -0.113775   0.832323  -0.154053   0.040754
    29  C   -0.027935  -0.256810  -0.406397  -0.401223  -0.120706  -0.000016
    30  H    0.014710  -0.009856  -0.052106  -0.017206  -0.012588   0.014683
    31  H    0.114385  -0.218409  -0.692019   0.012011   0.048088   0.160469
    32  H   -0.038612   0.097072   0.359320   0.969414  -0.226291  -0.105576
    33  H    0.030948  -0.074457  -0.073972  -0.573796   0.145425   0.084704
               7          8          9         10         11         12
     1  C   -5.099458  -0.933602   0.640220  -0.189999   1.001874   0.215213
     2  C   -1.325005   0.263766  -0.163117  -0.085030  -1.550751  -0.164124
     3  C    0.857824   0.056047  -0.130847  -0.006979  -4.610014  -1.266310
     4  C   -2.397725  -0.259952   0.055912  -0.001979  -4.677749   0.627242
     5  C    1.189461   0.245484  -0.245969   0.088189  -1.358667  -0.605582
     6  C   -1.017244  -0.248135  -0.153388   0.068603   0.982558  -0.025222
     7  C   16.491722  -0.474278   0.030909   0.216337  -0.556173  -0.029870
     8  C   -0.474278  10.832264  -0.903033  -0.509492  -0.014545   0.008623
     9  C    0.030909  -0.903033   5.201220  -0.169519  -0.017795  -0.005577
    10  C    0.216337  -0.509492  -0.169519   5.432023  -0.010466   0.001682
    11  C   -0.556173  -0.014545  -0.017795  -0.010466  20.572242  -2.188841
    12  C   -0.029870   0.008623  -0.005577   0.001682  -2.188841   8.231387
    13  O    0.001760   0.000036   0.000474   0.000034  -0.175071   0.518911
    14  O   -0.003375   0.000666  -0.000804   0.000082  -0.675774   0.366031
    15  H    0.138599   0.018883  -0.026228   0.018451  -0.058752   0.030383
    16  H    0.131134   0.009458   0.004095  -0.001061   0.330559   0.088832
    17  H    0.121093  -0.007455  -0.002111   0.001463   0.028503   0.024380
    18  H   -0.312436   0.070395  -0.020854   0.011590   0.135598  -0.001774
    19  H   -1.397160  -0.031600   0.022006  -0.120934   0.002968  -0.006673
    20  H   -1.291190   0.116770   0.059066  -0.034158  -0.018948   0.002534
    21  H   -0.209969  -2.159443   0.310358  -0.112621   0.010584   0.001229
    22  H   -0.250592   0.333073   0.201503  -0.125590  -0.010666   0.000249
    23  H   -0.390476  -0.048652   0.189394  -0.084707   0.001518  -0.000018
    24  H    0.150109  -0.067631   0.043898   0.115948   0.001372   0.000076
    25  H   -0.031278  -0.421877  -0.038462   0.425618  -0.000361   0.000308
    26  H   -0.269130   0.341907  -0.039476   0.044867   0.001637   0.000050
    27  H    0.129313   0.308525   0.043284   0.036113  -0.001654  -0.000005
    28  H   -0.015208   0.003694  -0.001548  -0.000774  -2.126610   0.215999
    29  C   -0.087688  -0.005767  -0.001022   0.000206   0.432148   0.238470
    30  H   -0.000370   0.000136  -0.000182   0.000063   0.218680  -0.220536
    31  H   -0.018520  -0.001031  -0.000156   0.000038   0.251008   0.051007
    32  H    0.003303  -0.000442   0.000061  -0.000044  -0.799073  -0.074343
    33  H   -0.018763   0.000368  -0.000120   0.000114   0.497149   0.018604
              13         14         15         16         17         18
     1  C   -0.036020  -0.101655  -5.402104   1.992148  -0.165924  -0.076004
     2  C    0.009720   0.000798   3.025221  -0.694769  -0.254819   1.134780
     3  C    0.043846   0.153658   1.792903  -4.992921   0.015811  -0.098296
     4  C    0.139592   0.162710  -1.134837   1.703213   1.463698  -0.110668
     5  C    0.034130   0.015356   0.081723   0.417928  -3.765530   1.940607
     6  C    0.014009  -0.016038   0.384975  -0.156469   1.751368  -3.569420
     7  C    0.001760  -0.003375   0.138599   0.131134   0.121093  -0.312436
     8  C    0.000036   0.000666   0.018883   0.009458  -0.007455   0.070395
     9  C    0.000474  -0.000804  -0.026228   0.004095  -0.002111  -0.020854
    10  C    0.000034   0.000082   0.018451  -0.001061   0.001463   0.011590
    11  C   -0.175071  -0.675774  -0.058752   0.330559   0.028503   0.135598
    12  C    0.518911   0.366031   0.030383   0.088832   0.024380  -0.001774
    13  O    7.728688  -0.035410  -0.001327  -0.009703   0.003429  -0.000513
    14  O   -0.035410   8.016572  -0.000785  -0.076428   0.005148  -0.000637
    15  H   -0.001327  -0.000785   3.490506  -0.281010   0.019594  -0.050819
    16  H   -0.009703  -0.076428  -0.281010   3.764259  -0.049139   0.015093
    17  H    0.003429   0.005148   0.019594  -0.049139   2.927346  -0.221600
    18  H   -0.000513  -0.000637  -0.050819   0.015093  -0.221600   3.083545
    19  H    0.000198  -0.000198  -0.129115   0.004893  -0.007155   0.033059
    20  H    0.000004  -0.000035   0.050024  -0.008963   0.008507  -0.060337
    21  H   -0.000216   0.000005   0.003579   0.001211   0.000502  -0.059089
    22  H   -0.000317   0.000545  -0.006877  -0.002462  -0.002083   0.009545
    23  H    0.000008   0.000066  -0.011347   0.000456   0.001057  -0.009123
    24  H    0.000057  -0.000151   0.003470   0.000209  -0.000904   0.001865
    25  H   -0.000003   0.000009   0.012518  -0.000716  -0.000187   0.003259
    26  H    0.000005   0.000003  -0.000837   0.000082  -0.000149   0.011285
    27  H    0.000003   0.000011  -0.002996   0.000046   0.000250  -0.004878
    28  H    0.056685   0.083660  -0.000864  -0.020582  -0.119285   0.001521
    29  C   -0.029770   0.064327   0.011662  -0.077305   0.022726   0.009896
    30  H   -0.020037   0.311602   0.001867   0.006911  -0.001500   0.000092
    31  H   -0.004646   0.011152   0.007997  -0.107873  -0.005298   0.002311
    32  H    0.009784   0.010929  -0.004170   0.029764   0.011889  -0.001005
    33  H    0.000076   0.016467   0.002595  -0.012824  -0.002990   0.001288
              19         20         21         22         23         24
     1  C    0.952244  -0.102856   0.032810   0.150922   0.064491  -0.059952
     2  C   -0.068749   0.034109   0.004279  -0.022352   0.058440   0.017296
     3  C    0.372811  -0.153582   0.112789  -0.155941   0.077829   0.016095
     4  C    0.163187   0.085738   0.059959   0.096117   0.006461  -0.013765
     5  C   -0.262189   0.260988   0.124301  -0.014395   0.023169   0.008068
     6  C   -0.622747   0.472286   0.013472   0.021708  -0.023594   0.001144
     7  C   -1.397160  -1.291190  -0.209969  -0.250592  -0.390476   0.150109
     8  C   -0.031600   0.116770  -2.159443   0.333073  -0.048652  -0.067631
     9  C    0.022006   0.059066   0.310358   0.201503   0.189394   0.043898
    10  C   -0.120934  -0.034158  -0.112621  -0.125590  -0.084707   0.115948
    11  C    0.002968  -0.018948   0.010584  -0.010666   0.001518   0.001372
    12  C   -0.006673   0.002534   0.001229   0.000249  -0.000018   0.000076
    13  O    0.000198   0.000004  -0.000216  -0.000317   0.000008   0.000057
    14  O   -0.000198  -0.000035   0.000005   0.000545   0.000066  -0.000151
    15  H   -0.129115   0.050024   0.003579  -0.006877  -0.011347   0.003470
    16  H    0.004893  -0.008963   0.001211  -0.002462   0.000456   0.000209
    17  H   -0.007155   0.008507   0.000502  -0.002083   0.001057  -0.000904
    18  H    0.033059  -0.060337  -0.059089   0.009545  -0.009123   0.001865
    19  H    3.207810  -0.664883   0.140673  -0.025057   0.022903   0.012135
    20  H   -0.664883   2.752304   0.015057   0.042133   0.013065  -0.013196
    21  H    0.140673   0.015057   3.451297  -0.087673   0.176319  -0.068723
    22  H   -0.025057   0.042133  -0.087673   2.090763  -0.333025  -0.632893
    23  H    0.022903   0.013065   0.176319  -0.333025   1.955831  -0.477648
    24  H    0.012135  -0.013196  -0.068723  -0.632893  -0.477648   2.208447
    25  H   -0.060010   0.013631   0.142692   0.009563  -0.005640  -0.008141
    26  H    0.030155  -0.090130  -0.101962  -0.023277  -0.001153   0.036521
    27  H    0.010765   0.029388  -0.122962   0.025109  -0.020658  -0.056080
    28  H    0.000436  -0.001019  -0.000112  -0.000203  -0.000216   0.000259
    29  C   -0.002942  -0.002964   0.000888   0.002078   0.000581  -0.000173
    30  H   -0.000286   0.000112   0.000047  -0.000184  -0.000026   0.000007
    31  H   -0.001421  -0.000140  -0.000171   0.001214  -0.000095  -0.000037
    32  H    0.000286   0.000236   0.000130   0.000013   0.000077   0.000009
    33  H   -0.000524  -0.000669   0.000200  -0.000351   0.000066  -0.000027
              25         26         27         28         29         30
     1  C    0.007439   0.012065  -0.005293   0.026222  -0.027935   0.014710
     2  C    0.074578   0.207715  -0.144860  -0.024894  -0.256810  -0.009856
     3  C    0.017979  -0.006851  -0.007176  -0.113775  -0.406397  -0.052106
     4  C    0.003564   0.016201  -0.007050   0.832323  -0.401223  -0.017206
     5  C    0.001210   0.010057  -0.005774  -0.154053  -0.120706  -0.012588
     6  C    0.027030  -0.018310  -0.015831   0.040754  -0.000016   0.014683
     7  C   -0.031278  -0.269130   0.129313  -0.015208  -0.087688  -0.000370
     8  C   -0.421877   0.341907   0.308525   0.003694  -0.005767   0.000136
     9  C   -0.038462  -0.039476   0.043284  -0.001548  -0.001022  -0.000182
    10  C    0.425618   0.044867   0.036113  -0.000774   0.000206   0.000063
    11  C   -0.000361   0.001637  -0.001654  -2.126610   0.432148   0.218680
    12  C    0.000308   0.000050  -0.000005   0.215999   0.238470  -0.220536
    13  O   -0.000003   0.000005   0.000003   0.056685  -0.029770  -0.020037
    14  O    0.000009   0.000003   0.000011   0.083660   0.064327   0.311602
    15  H    0.012518  -0.000837  -0.002996  -0.000864   0.011662   0.001867
    16  H   -0.000716   0.000082   0.000046  -0.020582  -0.077305   0.006911
    17  H   -0.000187  -0.000149   0.000250  -0.119285   0.022726  -0.001500
    18  H    0.003259   0.011285  -0.004878   0.001521   0.009896   0.000092
    19  H   -0.060010   0.030155   0.010765   0.000436  -0.002942  -0.000286
    20  H    0.013631  -0.090130   0.029388  -0.001019  -0.002964   0.000112
    21  H    0.142692  -0.101962  -0.122962  -0.000112   0.000888   0.000047
    22  H    0.009563  -0.023277   0.025109  -0.000203   0.002078  -0.000184
    23  H   -0.005640  -0.001153  -0.020658  -0.000216   0.000581  -0.000026
    24  H   -0.008141   0.036521  -0.056080   0.000259  -0.000173   0.000007
    25  H    1.735307  -0.321109  -0.426605  -0.000003   0.000136   0.000014
    26  H   -0.321109   1.809183  -0.479115   0.000034   0.000168  -0.000004
    27  H   -0.426605  -0.479115   1.871831  -0.000080  -0.000108   0.000003
    28  H   -0.000003   0.000034  -0.000080   2.695812   0.063285   0.010478
    29  C    0.000136   0.000168  -0.000108   0.063285   5.126652  -0.017810
    30  H    0.000014  -0.000004   0.000003   0.010478  -0.017810   0.567806
    31  H    0.000033   0.000004  -0.000005   0.082566   0.568400  -0.005507
    32  H    0.000002   0.000003  -0.000009   0.005460  -0.208059   0.000218
    33  H    0.000020   0.000050  -0.000011  -0.008226   0.088874   0.003428
              31         32         33
     1  C    0.114385  -0.038612   0.030948
     2  C   -0.218409   0.097072  -0.074457
     3  C   -0.692019   0.359320  -0.073972
     4  C    0.012011   0.969414  -0.573796
     5  C    0.048088  -0.226291   0.145425
     6  C    0.160469  -0.105576   0.084704
     7  C   -0.018520   0.003303  -0.018763
     8  C   -0.001031  -0.000442   0.000368
     9  C   -0.000156   0.000061  -0.000120
    10  C    0.000038  -0.000044   0.000114
    11  C    0.251008  -0.799073   0.497149
    12  C    0.051007  -0.074343   0.018604
    13  O   -0.004646   0.009784   0.000076
    14  O    0.011152   0.010929   0.016467
    15  H    0.007997  -0.004170   0.002595
    16  H   -0.107873   0.029764  -0.012824
    17  H   -0.005298   0.011889  -0.002990
    18  H    0.002311  -0.001005   0.001288
    19  H   -0.001421   0.000286  -0.000524
    20  H   -0.000140   0.000236  -0.000669
    21  H   -0.000171   0.000130   0.000200
    22  H    0.001214   0.000013  -0.000351
    23  H   -0.000095   0.000077   0.000066
    24  H   -0.000037   0.000009  -0.000027
    25  H    0.000033   0.000002   0.000020
    26  H    0.000004   0.000003   0.000050
    27  H   -0.000005  -0.000009  -0.000011
    28  H    0.082566   0.005460  -0.008226
    29  C    0.568400  -0.208059   0.088874
    30  H   -0.005507   0.000218   0.003428
    31  H    1.695686  -0.423624  -0.325146
    32  H   -0.423624   1.956227  -0.362438
    33  H   -0.325146  -0.362438   1.703613
 Mulliken charges:
               1
     1  C    0.717034
     2  C    0.798128
     3  C    1.179284
     4  C    0.592459
     5  C   -0.006345
     6  C    0.090091
     7  C    1.734343
     8  C   -0.523157
     9  C    1.117807
    10  C    0.991931
    11  C    0.383512
    12  C   -0.052337
    13  O   -0.248419
    14  O   -0.308507
    15  H   -0.982879
    16  H   -1.008065
    17  H   -0.800635
    18  H   -0.868276
    19  H   -0.574884
    20  H   -0.512880
    21  H   -0.679439
    22  H   -0.290596
    23  H   -0.185353
    24  H   -0.217664
    25  H   -0.160518
    26  H   -0.170487
    27  H   -0.153489
    28  H   -0.531736
    29  C    1.016196
    30  H    0.207342
    31  H   -0.202271
    32  H   -0.210513
    33  H   -0.139676
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.265845
     2  C    0.798128
     3  C    0.171218
     4  C    0.592459
     5  C   -0.806980
     6  C   -0.778185
     7  C    0.646578
     8  C   -1.202597
     9  C    0.424194
    10  C    0.507437
    11  C   -0.148223
    12  C   -0.052337
    13  O   -0.248419
    14  O   -0.101165
    29  C    0.463737
 Electronic spatial extent (au):  <R**2>=           4610.8566
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.8309    Y=             -0.7914    Z=             -1.4693  Tot=              1.8643
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -88.2314   YY=            -90.8979   ZZ=            -92.5733
   XY=              2.1284   XZ=              6.8027   YZ=             -6.7504
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.3362   YY=             -0.3304   ZZ=             -2.0058
   XY=              2.1284   XZ=              6.8027   YZ=             -6.7504
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -27.6011  YYY=             27.4554  ZZZ=             -5.3443  XYY=            -20.5521
  XXY=             -4.0511  XXZ=            -21.4442  XZZ=              8.6857  YZZ=             -5.4168
  YYZ=             -4.9578  XYZ=             17.6920
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4980.7695 YYYY=           -702.5315 ZZZZ=           -502.3992 XXXY=            -20.0770
 XXXZ=             98.8814 YYYX=            -84.7316 YYYZ=            -24.5784 ZZZX=             11.5025
 ZZZY=            -23.8873 XXYY=           -896.3881 XXZZ=           -959.6188 YYZZ=           -216.2675
 XXYZ=            -63.7959 YYXZ=             47.0825 ZZXY=             12.6971
 N-N= 9.726785235907D+02 E-N=-3.471677245615D+03  KE= 6.520923130854D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 17:22:27 2021, MaxMem=  6442450944 cpu:               5.5 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.14295476D-01-2.73838548D-01-5.59695094D-01
 Polarizability= 2.07574945D+02-1.91561303D+00 1.29421724D+02
                -1.16276622D-01-6.93531923D+00 1.42423764D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.2583    0.2536       -0.7925   -0.7870
 2     -0.2583   -0.2536        3.3651    3.3711      -40.7929  -40.7814
 3      0.7925    0.7870       33.8916   33.8938       -3.3753   -3.3711
 4     -3.3651   -3.3711        0.0000    0.0000        0.7832    0.7870
 5      6.9012    6.8876       -0.7832   -0.7870        0.2488    0.2536
 6      3.3753    3.3711       -0.2488   -0.2536        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.7609   -0.7609       -2.3609   -2.3609
 2    -10.1134  -10.1134       -0.0000    0.0000       -2.3609   -2.3609
 3    -10.1134  -10.1134       -0.7609   -0.7609       -0.0000    0.0000
 4     -0.7609   -0.7609       10.1134   10.1134     -122.3443 -122.3443
 5      2.3609    2.3609      101.6814  101.6814      -10.1134  -10.1134
 6     20.6629   20.6629       -2.3609   -2.3609        0.7609    0.7609
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1506    0.0000        0.0810   -1.0146        3.8438    3.1478
 2      0.4591    1.0146      -13.6142  -13.4845      163.0737  163.1257
 3     -3.6608   -3.1478     -134.9691 -135.5752       13.5547   13.4845
 4     13.5062   13.4845        0.1131    0.0000       -2.7963   -3.1478
 5    -28.2836  -27.5505        3.1650    3.1478       -1.0034   -1.0146
 6    -13.2985  -13.4845        0.9334    1.0146        0.0348    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2375    0.0000      -82.7983  -83.2380       -3.4887   -3.7312
 2     84.2380   83.2380      -13.3455  -13.3745       13.4444   13.3345
 3      4.9014    3.7312       23.1924   25.0525       12.1885   13.3745
 4     12.9173   13.3745       -0.9446    0.0000        3.5366    3.7312
 5    -37.7130  -38.3871       -4.6202   -3.7312      -83.0469  -83.2380
 6    -12.6116  -13.3745       83.1605   83.2380       -0.1994    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -9.2306   -9.0833        1.3552    1.2768      -14.7094  -15.3218
 2     16.6289   17.3570      -62.8892  -62.0524      -15.1514  -15.3218
 3     17.0170   17.3570        0.3125    1.2768      -16.7750  -17.2841
 4     63.9181   63.3291      -26.1380  -26.4403       21.8937   21.5952
 5     -1.1555   -1.9623       33.1007   33.3619       25.5906   26.4403
 6    -55.2525  -54.9571        1.1099    1.9623      -63.4288  -63.3291
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9615   -0.0011   -0.0005    0.0005    2.0155    2.4544
 Low frequencies ---   22.1407   36.9610   44.7806
 Diagonal vibrational polarizability:
       33.7798898      31.2611392       9.9312678
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     22.1335                36.9606                44.7792
 Red. masses --      3.7021                 6.2482                 3.6274
 Frc consts  --      0.0011                 0.0050                 0.0043
 IR Inten    --      0.4799                 0.6865                 0.3438
 RamAct Fr= 1--      0.5246                 1.0496                 2.1787
  Dep-P Fr= 1--      0.7469                 0.6712                 0.7473
  Dep-U Fr= 1--      0.8551                 0.8033                 0.8554
 Alpha2 Fr= 1--      0.0000                 0.0015                 0.0001
 Beta2  Fr= 1--      0.0748                 0.1405                 0.3106
 AlphaG Fr= 1--     -0.0004                 0.0048                -0.0030
 Gamma2 Fr= 1--      0.3763                -0.1865                -1.2562
 Delta2 Fr= 1--      0.2209                 0.2242                -1.0573
 Raman1 Fr= 1--       2.099                  4.198                  8.715
 ROA1   Fr= 1--      43.191                -10.731               -154.431
 CID1   Fr= 1--      20.582                 -2.556                -17.720
 Raman2 Fr= 1--       0.897                  1.686                  3.727
 ROA2   Fr= 1--       7.263                 -6.269                -21.691
 CID2   Fr= 1--       8.094                 -3.718                 -5.820
 Raman3 Fr= 1--       1.795                  3.372                  7.455
 ROA3   Fr= 1--      43.191                -10.731               -154.431
 CID3   Fr= 1--      24.068                 -3.182                -20.716
 RC180  Fr= 1--       0.710                  0.607                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.11   0.00    -0.01  -0.11  -0.05    -0.02  -0.13  -0.07
     2   6     0.00   0.04  -0.05    -0.01  -0.07  -0.03     0.00  -0.00  -0.03
     3   6    -0.02   0.11   0.04    -0.01  -0.12  -0.05    -0.01  -0.13  -0.06
     4   6     0.01   0.05   0.03    -0.01  -0.09  -0.03     0.01  -0.01  -0.01
     5   6     0.03  -0.02  -0.01    -0.01  -0.07  -0.03     0.03   0.12   0.02
     6   6     0.03  -0.03  -0.05    -0.01  -0.07  -0.03     0.03   0.12   0.01
     7   6    -0.00   0.03  -0.09    -0.01   0.01  -0.01     0.00   0.01  -0.06
     8   6     0.04  -0.07   0.03    -0.10   0.03   0.05     0.02  -0.05   0.02
     9   6     0.04   0.00   0.21    -0.22   0.03   0.14    -0.08   0.00   0.22
    10   6     0.04  -0.09  -0.05    -0.08   0.17   0.02     0.01   0.02  -0.12
    11   6     0.01   0.02   0.06    -0.00  -0.00  -0.01     0.01   0.01   0.02
    12   6    -0.04   0.01  -0.05     0.14   0.05  -0.01     0.00   0.01   0.00
    13   8     0.01   0.10  -0.10     0.42   0.14  -0.01    -0.16  -0.03  -0.01
    14   8    -0.15  -0.12  -0.10    -0.04  -0.02  -0.02     0.18   0.05   0.00
    15   1    -0.04   0.17   0.01    -0.02  -0.13  -0.05    -0.03  -0.22  -0.10
    16   1    -0.04   0.17   0.08    -0.02  -0.14  -0.05    -0.03  -0.22  -0.09
    17   1     0.06  -0.08  -0.02    -0.00  -0.05  -0.02     0.04   0.22   0.06
    18   1     0.05  -0.09  -0.09    -0.00  -0.04  -0.02     0.04   0.22   0.04
    19   1    -0.03   0.15  -0.09     0.01   0.07  -0.00    -0.02   0.09  -0.06
    20   1    -0.01  -0.03  -0.21     0.04   0.02  -0.04     0.01  -0.03  -0.14
    21   1     0.08  -0.20   0.03    -0.08  -0.06   0.05     0.10  -0.19   0.04
    22   1     0.05   0.01   0.26    -0.23  -0.06   0.18    -0.08  -0.05   0.34
    23   1     0.01   0.13   0.21    -0.25   0.12   0.14    -0.18   0.14   0.21
    24   1     0.08  -0.07   0.29    -0.27   0.04   0.18    -0.07  -0.04   0.27
    25   1    -0.00   0.04  -0.06    -0.09   0.27   0.02    -0.07   0.17  -0.15
    26   1     0.03  -0.15  -0.18     0.01   0.16  -0.05     0.09  -0.03  -0.28
    27   1     0.07  -0.16   0.03    -0.15   0.17   0.08     0.03  -0.04  -0.06
    28   1     0.05   0.10   0.10    -0.00   0.03   0.00     0.02   0.02   0.02
    29   6     0.03  -0.10   0.15    -0.08   0.04   0.02    -0.02   0.01   0.04
    30   1    -0.18  -0.11  -0.17     0.09   0.02  -0.03     0.15   0.04  -0.01
    31   1     0.02  -0.19   0.11    -0.07   0.01   0.01    -0.06   0.01   0.03
    32   1     0.03  -0.11   0.14    -0.07   0.13   0.03    -0.02   0.01   0.08
    33   1     0.06  -0.08   0.24    -0.16   0.02   0.03    -0.03   0.01   0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --     54.9946                67.7142               111.2610
 Red. masses --      4.4675                 3.0946                 4.5657
 Frc consts  --      0.0080                 0.0084                 0.0333
 IR Inten    --      0.2463                 0.0415                 0.0041
 RamAct Fr= 1--      3.4366                 0.0970                 2.4825
  Dep-P Fr= 1--      0.7500                 0.7421                 0.7265
  Dep-U Fr= 1--      0.8571                 0.8519                 0.8416
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0010
 Beta2  Fr= 1--      0.4909                 0.0138                 0.3482
 AlphaG Fr= 1--      0.0000                -0.0001                 0.0014
 Gamma2 Fr= 1--      0.6426                 0.3349                -0.8223
 Delta2 Fr= 1--      0.3804                 0.1678                -0.3041
 Raman1 Fr= 1--      13.746                  0.388                  9.930
 ROA1   Fr= 1--      73.858                 37.524                -88.675
 CID1   Fr= 1--       5.373                 96.725                 -8.930
 Raman2 Fr= 1--       5.891                  0.165                  4.178
 ROA2   Fr= 1--      12.379                  6.696                -17.304
 CID2   Fr= 1--       2.101                 40.522                 -4.141
 Raman3 Fr= 1--      11.782                  0.331                  8.357
 ROA3   Fr= 1--      73.858                 37.524                -88.675
 CID3   Fr= 1--       6.269                113.534                -10.611
 RC180  Fr= 1--       0.714                  0.704                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.08    -0.04  -0.02  -0.09    -0.08   0.10   0.07
     2   6    -0.01   0.09  -0.02    -0.00   0.00  -0.11    -0.07   0.13   0.07
     3   6    -0.04  -0.11  -0.08    -0.04  -0.03  -0.04    -0.09  -0.03   0.04
     4   6    -0.02   0.01  -0.04     0.01  -0.02  -0.02    -0.08  -0.13   0.01
     5   6    -0.00   0.20   0.02     0.04  -0.02  -0.05    -0.08  -0.10   0.01
     6   6     0.00   0.24   0.03     0.04  -0.01  -0.09    -0.07   0.02   0.04
     7   6    -0.01   0.05  -0.03    -0.00   0.05  -0.11    -0.07   0.13   0.03
     8   6     0.04  -0.02   0.02    -0.06   0.02   0.01     0.05   0.07  -0.00
     9   6     0.15   0.01   0.03     0.06   0.03  -0.05     0.16   0.11   0.02
    10   6     0.03  -0.13   0.09    -0.06  -0.02   0.25     0.03  -0.08  -0.10
    11   6    -0.02  -0.05  -0.05     0.02   0.01   0.06    -0.08  -0.10  -0.00
    12   6    -0.02  -0.05   0.03     0.02   0.01   0.02     0.07  -0.05  -0.03
    13   8     0.15  -0.05   0.07    -0.05   0.02  -0.00     0.11  -0.01  -0.05
    14   8    -0.20  -0.04   0.05     0.11   0.00   0.01     0.22  -0.04  -0.04
    15   1    -0.04  -0.18  -0.11    -0.07  -0.02  -0.10    -0.08   0.17   0.09
    16   1    -0.05  -0.25  -0.13    -0.07  -0.04  -0.02    -0.09  -0.04   0.04
    17   1     0.01   0.30   0.06     0.08  -0.02  -0.03    -0.08  -0.17  -0.01
    18   1     0.01   0.37   0.07     0.07  -0.01  -0.11    -0.06   0.03   0.04
    19   1    -0.02   0.09  -0.03     0.01   0.15  -0.10    -0.12   0.13   0.02
    20   1    -0.05   0.01  -0.09     0.02   0.03  -0.18    -0.08   0.10  -0.01
    21   1    -0.00  -0.03   0.01    -0.23   0.02  -0.04     0.11   0.10   0.01
    22   1     0.16   0.07  -0.03     0.04   0.04  -0.26     0.18   0.21   0.04
    23   1     0.23   0.03   0.05     0.26   0.05  -0.00     0.14   0.09   0.01
    24   1     0.16  -0.02   0.09    -0.04   0.02   0.06     0.25   0.06   0.01
    25   1     0.08  -0.15   0.10     0.12  -0.05   0.31    -0.04  -0.14  -0.12
    26   1    -0.05  -0.16   0.09    -0.15  -0.02   0.33    -0.04  -0.11  -0.10
    27   1     0.07  -0.17   0.11    -0.12  -0.02   0.32     0.15  -0.13  -0.15
    28   1    -0.01  -0.10  -0.06     0.07   0.06   0.09    -0.12  -0.07  -0.00
    29   6    -0.01  -0.01  -0.08    -0.06  -0.03   0.15    -0.14  -0.04  -0.01
    30   1    -0.17  -0.04   0.10     0.10   0.00  -0.02     0.35   0.00  -0.06
    31   1    -0.05   0.05  -0.07    -0.11  -0.08   0.12    -0.10  -0.07  -0.01
    32   1    -0.01  -0.05  -0.06    -0.04   0.00   0.21    -0.14   0.06  -0.02
    33   1     0.01  -0.01  -0.14    -0.07  -0.03   0.18    -0.24  -0.07   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    166.7511               197.8825               227.3930
 Red. masses --      3.8068                 2.9367                 1.1098
 Frc consts  --      0.0624                 0.0678                 0.0338
 IR Inten    --      0.1772                 0.0236                 0.0260
 RamAct Fr= 1--      1.2895                 0.4318                 0.2413
  Dep-P Fr= 1--      0.1825                 0.4894                 0.7479
  Dep-U Fr= 1--      0.3086                 0.6572                 0.8558
 Alpha2 Fr= 1--      0.0183                 0.0022                 0.0000
 Beta2  Fr= 1--      0.0663                 0.0473                 0.0344
 AlphaG Fr= 1--     -0.0043                -0.0072                 0.0002
 Gamma2 Fr= 1--     -0.1894                 0.3615                 0.0090
 Delta2 Fr= 1--     -0.0509                 0.3542                 0.0586
 Raman1 Fr= 1--       5.158                  1.727                  0.965
 ROA1   Fr= 1--     -19.809                 46.044                  2.740
 CID1   Fr= 1--      -3.840                 26.658                  2.839
 Raman2 Fr= 1--       0.796                  0.568                  0.413
 ROA2   Fr= 1--      -4.138                  5.843                 -0.253
 CID2   Fr= 1--      -5.199                 10.296                 -0.613
 Raman3 Fr= 1--       1.592                  1.135                  0.826
 ROA3   Fr= 1--     -19.809                 46.044                  2.740
 CID3   Fr= 1--     -12.444                 40.564                  3.317
 RC180  Fr= 1--      -0.383                  0.314                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.08   0.02    -0.05  -0.11   0.03    -0.00   0.02   0.00
     2   6    -0.06   0.02  -0.02     0.00  -0.05   0.01     0.01   0.01  -0.00
     3   6    -0.05   0.10   0.09    -0.03  -0.11   0.09    -0.00   0.00   0.01
     4   6     0.00   0.06   0.10     0.00  -0.06   0.12    -0.00  -0.01   0.01
     5   6     0.02   0.10   0.10     0.04  -0.09   0.08     0.01   0.00   0.01
     6   6     0.01   0.08   0.03     0.04  -0.08   0.02     0.01   0.02   0.00
     7   6    -0.08  -0.03  -0.10     0.00   0.07  -0.10     0.01  -0.01  -0.01
     8   6    -0.11  -0.06  -0.04     0.00   0.04  -0.04     0.01  -0.01  -0.01
     9   6    -0.11  -0.05  -0.03     0.08   0.09   0.02    -0.00  -0.03  -0.03
    10   6    -0.11  -0.05   0.03     0.00   0.00  -0.01     0.01   0.02   0.04
    11   6    -0.00  -0.05   0.01    -0.01   0.02   0.03    -0.00  -0.01   0.00
    12   6     0.04  -0.04  -0.00    -0.02   0.03   0.00     0.00  -0.01   0.00
    13   8     0.10  -0.01  -0.01    -0.07   0.07  -0.03    -0.01  -0.00  -0.00
    14   8     0.14  -0.04  -0.01    -0.06  -0.02  -0.02    -0.00  -0.03  -0.00
    15   1    -0.10   0.08   0.01    -0.09  -0.13   0.00    -0.01   0.02   0.00
    16   1    -0.09   0.12   0.13    -0.06  -0.13   0.10    -0.01   0.00   0.02
    17   1     0.05   0.12   0.12     0.08  -0.09   0.10     0.02   0.00   0.01
    18   1     0.06   0.09  -0.00     0.07  -0.08   0.00     0.02   0.03  -0.00
    19   1    -0.11   0.03  -0.11    -0.09   0.18  -0.12     0.01  -0.02  -0.01
    20   1    -0.07  -0.05  -0.16     0.10   0.05  -0.22    -0.01  -0.01  -0.01
    21   1    -0.16  -0.09  -0.06    -0.02  -0.00  -0.05    -0.01  -0.01  -0.01
    22   1    -0.12  -0.08  -0.07     0.05   0.05  -0.18     0.03   0.08   0.20
    23   1    -0.07  -0.02  -0.01     0.30   0.22   0.08    -0.24  -0.15  -0.10
    24   1    -0.15  -0.05   0.02    -0.06   0.04   0.22     0.19  -0.02  -0.23
    25   1    -0.04  -0.02   0.06     0.02  -0.01  -0.01     0.11   0.45   0.07
    26   1    -0.14  -0.07   0.02    -0.02   0.00  -0.00    -0.02  -0.16  -0.33
    27   1    -0.13  -0.07   0.09     0.01  -0.00  -0.01    -0.04  -0.19   0.41
    28   1    -0.08  -0.09  -0.02    -0.13  -0.01  -0.01    -0.02  -0.02  -0.00
    29   6     0.21  -0.07  -0.12     0.08   0.14  -0.13    -0.03   0.03  -0.01
    30   1     0.24  -0.01  -0.03    -0.11  -0.03  -0.05    -0.01  -0.03  -0.02
    31   1     0.27   0.01  -0.07     0.32   0.14  -0.08     0.17  -0.10  -0.02
    32   1     0.18  -0.23  -0.24     0.04   0.28  -0.35    -0.04   0.26  -0.16
    33   1     0.35  -0.03  -0.15    -0.07   0.10  -0.10    -0.23  -0.02   0.13
                     10                     11                     12
                      A                      A                      A
 Frequencies --    233.4609               250.0540               254.4118
 Red. masses --      1.1277                 1.4921                 1.6414
 Frc consts  --      0.0362                 0.0550                 0.0626
 IR Inten    --      0.0024                 0.0864                 0.1041
 RamAct Fr= 1--      0.1499                 1.0276                 0.3902
  Dep-P Fr= 1--      0.7495                 0.4341                 0.6507
  Dep-U Fr= 1--      0.8568                 0.6054                 0.7884
 Alpha2 Fr= 1--      0.0000                 0.0067                 0.0007
 Beta2  Fr= 1--      0.0214                 0.1037                 0.0513
 AlphaG Fr= 1--      0.0000                -0.0179                -0.0035
 Gamma2 Fr= 1--      0.1176                -0.6536                 0.4957
 Delta2 Fr= 1--      0.0313                 0.0046                 0.1466
 Raman1 Fr= 1--       0.600                  4.111                  1.561
 ROA1   Fr= 1--      12.288                -62.601                 52.273
 CID1   Fr= 1--      20.496                -15.229                 33.488
 Raman2 Fr= 1--       0.257                  1.244                  0.615
 ROA2   Fr= 1--       2.571                -15.724                 10.723
 CID2   Fr= 1--      10.011                -12.638                 17.428
 Raman3 Fr= 1--       0.514                  2.488                  1.231
 ROA3   Fr= 1--      12.288                -62.601                 52.273
 CID3   Fr= 1--      23.920                -25.158                 42.477
 RC180  Fr= 1--       0.714                  0.211                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.00    -0.01  -0.05  -0.03     0.00  -0.04   0.00
     2   6     0.01   0.01  -0.01    -0.02  -0.01  -0.01    -0.02  -0.03   0.02
     3   6     0.01   0.03  -0.00    -0.01  -0.04  -0.02     0.00  -0.01  -0.02
     4   6     0.01  -0.00  -0.01     0.01   0.01  -0.00    -0.01   0.02  -0.02
     5   6     0.01   0.03  -0.00    -0.00  -0.02  -0.01    -0.04  -0.00  -0.01
     6   6     0.01   0.04  -0.00    -0.01  -0.04  -0.02    -0.04  -0.03   0.01
     7   6     0.01  -0.02  -0.00    -0.02   0.04   0.02    -0.02  -0.00   0.02
     8   6    -0.00  -0.02   0.00    -0.03   0.04   0.02    -0.01   0.01  -0.01
     9   6    -0.03  -0.03   0.01     0.01   0.06   0.02     0.04   0.03  -0.01
    10   6    -0.00  -0.00  -0.00    -0.04  -0.06   0.00    -0.01   0.01  -0.03
    11   6     0.01  -0.01  -0.01     0.02   0.03  -0.00    -0.01   0.02  -0.03
    12   6     0.01  -0.02   0.00     0.00   0.03  -0.00    -0.01   0.03  -0.03
    13   8     0.00  -0.03   0.01     0.00   0.00   0.01     0.02  -0.02   0.02
    14   8     0.00  -0.02   0.00    -0.01   0.06   0.01    -0.01   0.11   0.02
    15   1     0.01   0.05   0.00    -0.01  -0.07  -0.04     0.02  -0.05   0.01
    16   1     0.01   0.04   0.00    -0.01  -0.05  -0.02     0.02  -0.00  -0.03
    17   1     0.01   0.03  -0.00    -0.01  -0.03  -0.01    -0.06   0.01  -0.02
    18   1     0.01   0.05   0.00     0.00  -0.04  -0.03    -0.06  -0.04   0.02
    19   1     0.01  -0.01  -0.00     0.00   0.06   0.02    -0.02  -0.04   0.02
    20   1    -0.01  -0.02  -0.00    -0.00   0.05   0.02    -0.00   0.02   0.06
    21   1     0.00  -0.03   0.00    -0.02   0.06   0.03     0.00   0.02  -0.01
    22   1    -0.06  -0.11  -0.10     0.07   0.26   0.40     0.00  -0.06  -0.31
    23   1     0.08   0.03   0.04    -0.39  -0.11  -0.09     0.37   0.15   0.08
    24   1    -0.15  -0.01   0.10     0.35   0.02  -0.27    -0.17   0.02   0.23
    25   1    -0.04  -0.25  -0.02    -0.08  -0.28  -0.02     0.01   0.33  -0.02
    26   1     0.04   0.11   0.22    -0.10  -0.00   0.16    -0.02  -0.12  -0.32
    27   1     0.00   0.13  -0.22     0.04  -0.00  -0.17    -0.00  -0.15   0.21
    28   1     0.01  -0.01  -0.00     0.01   0.05   0.01    -0.00   0.07  -0.01
    29   6    -0.03   0.01   0.01     0.10  -0.06   0.01     0.06  -0.12   0.03
    30   1    -0.01  -0.02  -0.00    -0.03   0.05   0.05     0.01   0.11   0.09
    31   1     0.33  -0.29  -0.04     0.25  -0.21  -0.01     0.20  -0.33  -0.02
    32   1    -0.06   0.42  -0.26     0.07   0.01  -0.14     0.04  -0.06  -0.11
    33   1    -0.40  -0.09   0.33     0.05  -0.06   0.20     0.03  -0.12   0.28
                     13                     14                     15
                      A                      A                      A
 Frequencies --    297.2565               318.5885               346.0931
 Red. masses --      2.7188                 3.6183                 3.2536
 Frc consts  --      0.1415                 0.2164                 0.2296
 IR Inten    --      0.2623                 0.7609                 0.4049
 RamAct Fr= 1--      1.9036                 0.7222                 1.8794
  Dep-P Fr= 1--      0.1647                 0.3886                 0.6617
  Dep-U Fr= 1--      0.2828                 0.5596                 0.7964
 Alpha2 Fr= 1--      0.0283                 0.0056                 0.0030
 Beta2  Fr= 1--      0.0897                 0.0674                 0.2495
 AlphaG Fr= 1--      0.0106                 0.0075                 0.0073
 Gamma2 Fr= 1--     -0.1016                 0.0792                 0.8694
 Delta2 Fr= 1--     -0.2237                -0.0503                 0.0622
 Raman1 Fr= 1--       7.614                  2.889                  7.518
 ROA1   Fr= 1--     -16.916                  5.998                 85.457
 CID1   Fr= 1--      -2.222                  2.076                 11.367
 Raman2 Fr= 1--       1.077                  0.808                  2.993
 ROA2   Fr= 1--      -0.649                  2.304                 20.368
 CID2   Fr= 1--      -0.603                  2.850                  6.804
 Raman3 Fr= 1--       2.154                  1.617                  5.987
 ROA3   Fr= 1--     -16.916                  5.998                 85.457
 CID3   Fr= 1--      -7.855                  3.710                 14.274
 RC180  Fr= 1--      -0.434                  0.119                  0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01   0.03     0.08   0.03   0.10    -0.04   0.09  -0.04
     2   6     0.01   0.01  -0.00     0.05  -0.00   0.08    -0.00   0.20  -0.02
     3   6    -0.06  -0.02   0.06     0.09  -0.01   0.06    -0.05  -0.13  -0.02
     4   6    -0.06  -0.03   0.05     0.07  -0.07   0.02     0.01  -0.13   0.01
     5   6    -0.02  -0.02   0.03     0.06  -0.02   0.07     0.05  -0.14  -0.03
     6   6    -0.00   0.01   0.00     0.08   0.03   0.11     0.05   0.08  -0.04
     7   6     0.04  -0.02  -0.10    -0.00   0.05  -0.12    -0.00   0.07   0.08
     8   6     0.10  -0.08  -0.03    -0.06   0.02  -0.06     0.05   0.00   0.08
     9   6     0.03  -0.09   0.00    -0.09   0.03  -0.02    -0.12  -0.12  -0.05
    10   6     0.15   0.14   0.07    -0.08  -0.12   0.01     0.04  -0.07  -0.00
    11   6    -0.09  -0.01  -0.03     0.06   0.00  -0.09     0.03   0.01   0.03
    12   6    -0.04   0.03  -0.05     0.04   0.01  -0.11     0.02   0.05   0.00
    13   8     0.02  -0.01  -0.01     0.01  -0.12  -0.04    -0.04   0.06  -0.01
    14   8    -0.02   0.13  -0.00    -0.07   0.16  -0.04    -0.03   0.06   0.01
    15   1    -0.10   0.02   0.02     0.11   0.07   0.13    -0.09   0.13  -0.05
    16   1    -0.06  -0.03   0.06     0.09   0.01   0.06    -0.11  -0.21  -0.01
    17   1     0.02  -0.03   0.05     0.05  -0.01   0.07     0.09  -0.23  -0.03
    18   1    -0.00   0.02   0.00     0.09   0.07   0.13     0.11   0.11  -0.08
    19   1    -0.06   0.10  -0.12    -0.16   0.22  -0.15     0.09   0.03   0.11
    20   1     0.03  -0.08  -0.25     0.13   0.03  -0.30    -0.15   0.02   0.12
    21   1     0.08  -0.13  -0.04    -0.10  -0.02  -0.07     0.09   0.04   0.10
    22   1     0.05  -0.08   0.16    -0.09  -0.00   0.04    -0.17  -0.37  -0.20
    23   1    -0.14  -0.14  -0.04    -0.15   0.06  -0.03    -0.02  -0.17  -0.03
    24   1     0.12  -0.08  -0.11    -0.09   0.03  -0.02    -0.39   0.07  -0.07
    25   1     0.23   0.01   0.09    -0.02  -0.14   0.03    -0.02  -0.03  -0.02
    26   1     0.32   0.30   0.29    -0.25  -0.17  -0.00    -0.02  -0.14  -0.09
    27   1    -0.07   0.36  -0.05     0.00  -0.21   0.06     0.14  -0.16   0.03
    28   1    -0.14   0.04  -0.02     0.01   0.10  -0.06    -0.02   0.04   0.03
    29   6    -0.02  -0.10  -0.02    -0.11  -0.01   0.04     0.09   0.00   0.00
    30   1     0.05   0.14   0.09    -0.18   0.10   0.12    -0.12   0.03   0.05
    31   1    -0.03  -0.14  -0.03    -0.32  -0.02  -0.00     0.11   0.04   0.02
    32   1    -0.03  -0.18  -0.03    -0.07   0.03   0.27     0.08  -0.07  -0.05
    33   1     0.06  -0.07   0.04    -0.14  -0.02  -0.01     0.16   0.02  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    387.4705               407.3287               419.2855
 Red. masses --      2.6957                 2.5949                 2.9481
 Frc consts  --      0.2385                 0.2537                 0.3054
 IR Inten    --      0.7465                 0.3626                 0.0296
 RamAct Fr= 1--      0.1345                 6.6646                 0.0093
  Dep-P Fr= 1--      0.5050                 0.0895                 0.4764
  Dep-U Fr= 1--      0.6711                 0.1642                 0.6453
 Alpha2 Fr= 1--      0.0006                 0.1197                 0.0001
 Beta2  Fr= 1--      0.0150                 0.1824                 0.0010
 AlphaG Fr= 1--      0.0011                -0.0110                -0.0041
 Gamma2 Fr= 1--      0.3446                -0.1776                -0.1188
 Delta2 Fr= 1--      0.1790                 0.1575                -0.0295
 Raman1 Fr= 1--       0.538                 26.658                  0.037
 ROA1   Fr= 1--      38.806                -12.013                -12.352
 CID1   Fr= 1--      72.120                 -0.451               -333.044
 Raman2 Fr= 1--       0.181                  2.189                  0.012
 ROA2   Fr= 1--       6.838                 -5.523                 -2.616
 CID2   Fr= 1--      37.871                 -2.523               -218.574
 Raman3 Fr= 1--       0.361                  4.378                  0.024
 ROA3   Fr= 1--      38.806                -12.013                -12.352
 CID3   Fr= 1--     107.465                 -2.744               -516.089
 RC180  Fr= 1--       0.342                 -0.672                  0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.05   0.07     0.00   0.06   0.02    -0.02  -0.19  -0.08
     2   6     0.00   0.01   0.13    -0.06   0.05   0.05    -0.00   0.00  -0.02
     3   6     0.05   0.01  -0.09     0.01  -0.04  -0.06     0.01   0.19   0.08
     4   6    -0.02   0.03  -0.11     0.05  -0.06  -0.05     0.00  -0.01   0.01
     5   6    -0.10  -0.04  -0.09    -0.02  -0.04  -0.00    -0.00  -0.20  -0.06
     6   6    -0.07   0.00   0.10    -0.02   0.03   0.06     0.03   0.20   0.06
     7   6    -0.01   0.09  -0.11    -0.10  -0.02  -0.03    -0.00  -0.02   0.01
     8   6     0.05  -0.00  -0.04    -0.10  -0.10   0.06    -0.01  -0.00   0.01
     9   6    -0.07  -0.03  -0.03     0.12  -0.08   0.00     0.02   0.00   0.01
    10   6     0.06  -0.03   0.03    -0.10   0.12  -0.04    -0.01   0.01  -0.01
    11   6     0.00   0.02   0.01     0.10   0.03   0.00     0.00  -0.00   0.00
    12   6    -0.02   0.01   0.08     0.07   0.01  -0.01     0.00  -0.00  -0.01
    13   8    -0.02   0.08   0.04    -0.01  -0.04  -0.00     0.00  -0.00  -0.01
    14   8     0.03  -0.09   0.04    -0.01  -0.00  -0.01    -0.00   0.01  -0.00
    15   1     0.16  -0.10   0.10     0.06   0.07   0.05    -0.05  -0.40  -0.16
    16   1     0.14   0.02  -0.15    -0.01  -0.07  -0.06     0.02   0.43   0.17
    17   1    -0.21  -0.07  -0.15    -0.08  -0.04  -0.03    -0.01  -0.42  -0.13
    18   1    -0.17   0.01   0.17    -0.01   0.04   0.05     0.06   0.44   0.13
    19   1    -0.26   0.38  -0.16    -0.16   0.13  -0.04     0.03  -0.05   0.02
    20   1     0.13   0.01  -0.44    -0.10  -0.09  -0.19    -0.01  -0.00   0.05
    21   1     0.03  -0.04  -0.04    -0.11  -0.12   0.06    -0.01   0.00   0.01
    22   1    -0.08  -0.16   0.01     0.16   0.19  -0.09     0.02   0.04   0.00
    23   1    -0.13  -0.02  -0.04     0.23  -0.23   0.02     0.02  -0.00   0.01
    24   1    -0.15   0.04  -0.07     0.29  -0.16  -0.04     0.04  -0.01   0.01
    25   1     0.14  -0.05   0.06    -0.24   0.19  -0.08    -0.03   0.01  -0.01
    26   1    -0.02  -0.05   0.06     0.18   0.20  -0.06     0.01   0.01  -0.01
    27   1     0.05  -0.06   0.08    -0.23   0.26  -0.13    -0.02   0.02  -0.02
    28   1     0.09  -0.04   0.00     0.12   0.06   0.02    -0.00   0.00   0.00
    29   6     0.05  -0.01   0.00     0.07   0.06   0.05    -0.01  -0.00   0.00
    30   1     0.05  -0.06  -0.07    -0.20  -0.05  -0.01    -0.01   0.00   0.01
    31   1     0.11  -0.04   0.00     0.04   0.07   0.04    -0.01   0.01   0.00
    32   1     0.04  -0.05  -0.07     0.07   0.07   0.08    -0.01  -0.00   0.01
    33   1     0.09   0.00   0.06     0.06   0.06   0.02    -0.00  -0.00  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    427.6289               453.8464               552.7255
 Red. masses --      2.2153                 4.3149                 2.3165
 Frc consts  --      0.2387                 0.5236                 0.4170
 IR Inten    --      0.1881                 3.3720                15.0860
 RamAct Fr= 1--      0.6566                 1.5010                 0.8183
  Dep-P Fr= 1--      0.7490                 0.3095                 0.5097
  Dep-U Fr= 1--      0.8565                 0.4727                 0.6752
 Alpha2 Fr= 1--      0.0000                 0.0150                 0.0039
 Beta2  Fr= 1--      0.0937                 0.1183                 0.0921
 AlphaG Fr= 1--     -0.0004                 0.0152                -0.0005
 Gamma2 Fr= 1--     -0.1430                -0.1903                -0.2620
 Delta2 Fr= 1--     -0.0949                -0.4242                -0.0086
 Raman1 Fr= 1--       2.626                  6.004                  3.273
 ROA1   Fr= 1--     -16.764                -31.841                -25.428
 CID1   Fr= 1--      -6.383                 -5.303                 -7.768
 Raman2 Fr= 1--       1.125                  1.419                  1.105
 ROA2   Fr= 1--      -2.673                 -1.172                 -6.220
 CID2   Fr= 1--      -2.376                 -0.826                 -5.628
 Raman3 Fr= 1--       2.249                  2.838                  2.210
 ROA3   Fr= 1--     -16.764                -31.841                -25.428
 CID3   Fr= 1--      -7.452                -11.219                -11.505
 RC180  Fr= 1--       0.713                 -0.055                  0.350
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.07  -0.02     0.11   0.06   0.05     0.04  -0.03  -0.01
     2   6     0.01  -0.04  -0.03     0.11  -0.04  -0.02     0.03   0.19   0.06
     3   6    -0.01   0.05   0.03     0.09  -0.03   0.02     0.04  -0.05   0.00
     4   6    -0.00   0.09   0.04    -0.02  -0.11  -0.04     0.04   0.19   0.07
     5   6     0.01   0.05   0.02     0.07   0.00  -0.03     0.04  -0.05  -0.00
     6   6     0.01  -0.06  -0.04     0.09   0.07  -0.00     0.04  -0.03  -0.00
     7   6     0.02   0.13   0.01     0.08  -0.04  -0.03    -0.02  -0.00  -0.01
     8   6     0.01   0.03   0.20    -0.10  -0.03   0.07    -0.03  -0.04  -0.04
     9   6     0.01  -0.09  -0.04     0.05  -0.01  -0.00     0.00  -0.02   0.01
    10   6    -0.01  -0.00  -0.04    -0.15   0.01  -0.04    -0.05   0.01  -0.00
    11   6    -0.02   0.00  -0.01    -0.12  -0.09  -0.03    -0.03   0.02  -0.03
    12   6    -0.02  -0.02  -0.02    -0.10   0.03   0.10    -0.09  -0.01  -0.00
    13   8     0.02  -0.05   0.00    -0.05   0.24  -0.00     0.02  -0.01   0.02
    14   8     0.01  -0.00  -0.02     0.00   0.01   0.09    -0.01  -0.02  -0.01
    15   1    -0.04  -0.10  -0.04     0.10   0.18   0.08     0.02  -0.34  -0.11
    16   1    -0.01   0.07   0.04     0.14   0.03   0.00     0.02  -0.37  -0.11
    17   1     0.03   0.06   0.03     0.13   0.06   0.01     0.03  -0.37  -0.10
    18   1     0.01  -0.09  -0.05     0.08   0.16   0.05     0.04  -0.34  -0.13
    19   1     0.02   0.50   0.02     0.12   0.07  -0.02    -0.04  -0.10  -0.01
    20   1     0.11   0.03  -0.30     0.14  -0.03  -0.08    -0.13  -0.02   0.06
    21   1     0.04   0.05   0.21    -0.15  -0.05   0.05    -0.05  -0.06  -0.05
    22   1    -0.01  -0.12  -0.20     0.07   0.18  -0.08     0.01   0.03   0.01
    23   1     0.10  -0.39  -0.04     0.14  -0.13   0.01     0.02   0.02   0.01
    24   1    -0.07   0.08  -0.23     0.17  -0.07  -0.03     0.05  -0.08   0.05
    25   1    -0.26   0.05  -0.11    -0.32   0.03  -0.10    -0.02   0.02   0.01
    26   1     0.07  -0.04  -0.17    -0.07   0.00  -0.12    -0.02   0.03   0.02
    27   1     0.13  -0.04  -0.12    -0.08   0.02  -0.12    -0.11   0.04   0.00
    28   1    -0.03   0.00  -0.01    -0.10  -0.18  -0.06    -0.02  -0.02  -0.04
    29   6    -0.04   0.00  -0.01    -0.08  -0.15  -0.10    -0.04  -0.01  -0.02
    30   1     0.08   0.02  -0.01     0.22   0.08   0.08     0.46   0.12  -0.05
    31   1    -0.06  -0.01  -0.01    -0.03  -0.17  -0.10    -0.09  -0.06  -0.04
    32   1    -0.03   0.03   0.02    -0.10  -0.22  -0.17    -0.03   0.03   0.03
    33   1    -0.07  -0.01  -0.01    -0.02  -0.13  -0.05    -0.08  -0.02   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    580.9569               605.7165               635.4028
 Red. masses --      2.5614                 2.0820                 2.3004
 Frc consts  --      0.5093                 0.4501                 0.5472
 IR Inten    --     32.4678                65.8833                43.3908
 RamAct Fr= 1--      1.4877                 0.4999                 2.3235
  Dep-P Fr= 1--      0.1849                 0.4843                 0.3786
  Dep-U Fr= 1--      0.3121                 0.6525                 0.5492
 Alpha2 Fr= 1--      0.0210                 0.0027                 0.0185
 Beta2  Fr= 1--      0.0774                 0.0544                 0.2127
 AlphaG Fr= 1--     -0.0400                -0.0156                 0.0463
 Gamma2 Fr= 1--      0.4965                 0.0875                -0.3766
 Delta2 Fr= 1--      0.2255                 0.2522                -0.1792
 Raman1 Fr= 1--       5.951                  2.000                  9.294
 ROA1   Fr= 1--      54.877                 16.469                -41.883
 CID1   Fr= 1--       9.222                  8.236                 -4.506
 Raman2 Fr= 1--       0.929                  0.652                  2.552
 ROA2   Fr= 1--      10.111                  0.082                 -7.604
 CID2   Fr= 1--      10.887                  0.125                 -2.980
 Raman3 Fr= 1--       1.857                  1.305                  5.104
 ROA3   Fr= 1--      54.877                 16.469                -41.883
 CID3   Fr= 1--      29.545                 12.621                 -8.205
 RC180  Fr= 1--      -0.376                  0.305                  0.098
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.07    -0.02  -0.01  -0.03     0.03   0.03  -0.08
     2   6     0.08  -0.04  -0.01    -0.06  -0.03   0.01    -0.07  -0.05  -0.05
     3   6    -0.01  -0.05   0.00    -0.02   0.04  -0.06     0.06  -0.01   0.03
     4   6    -0.09  -0.04  -0.03     0.06  -0.02  -0.03     0.06  -0.08   0.01
     5   6    -0.03  -0.02  -0.08     0.03   0.02   0.01    -0.02  -0.04   0.11
     6   6    -0.00   0.06  -0.02     0.02  -0.04   0.04    -0.03   0.00   0.00
     7   6     0.10  -0.03  -0.02    -0.07   0.02   0.02    -0.07   0.02   0.01
     8   6    -0.02   0.00   0.01     0.01   0.00  -0.00     0.01   0.00   0.00
     9   6     0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.00   0.00     0.04   0.00   0.00
    11   6    -0.09   0.05   0.11     0.07  -0.10   0.05     0.05   0.10  -0.12
    12   6    -0.09  -0.00  -0.05    -0.03  -0.10  -0.02    -0.00   0.09   0.04
    13   8     0.04  -0.11   0.03    -0.02   0.05  -0.11    -0.03  -0.01   0.10
    14   8    -0.04   0.00  -0.08    -0.07   0.06   0.06    -0.04  -0.07  -0.04
    15   1    -0.01   0.14   0.08     0.05   0.01   0.01     0.04   0.17  -0.03
    16   1     0.08   0.02  -0.03    -0.04   0.10  -0.02    -0.03   0.10   0.14
    17   1     0.02   0.03  -0.05    -0.02   0.09   0.00    -0.01   0.12   0.16
    18   1    -0.08   0.16   0.07     0.05   0.01   0.03     0.07   0.18  -0.01
    19   1     0.11  -0.00  -0.02    -0.09   0.02   0.02    -0.06   0.04   0.01
    20   1     0.14  -0.01  -0.03    -0.07   0.01  -0.00    -0.06   0.01  -0.02
    21   1    -0.06  -0.02  -0.00     0.05   0.02   0.01     0.04   0.03   0.01
    22   1     0.01   0.05  -0.01    -0.01  -0.03   0.01    -0.01  -0.03   0.00
    23   1     0.02  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.00  -0.00
    24   1     0.03  -0.01  -0.00    -0.02   0.02  -0.00    -0.02   0.02  -0.01
    25   1    -0.10  -0.02  -0.02     0.07   0.01   0.02     0.07   0.01   0.01
    26   1    -0.06  -0.02  -0.03     0.04   0.01   0.02     0.04   0.01   0.02
    27   1     0.01  -0.03  -0.03     0.00   0.01   0.02     0.01   0.01   0.02
    28   1    -0.07   0.15   0.15     0.12  -0.12   0.06     0.00   0.04  -0.15
    29   6     0.07   0.09   0.09     0.02   0.02   0.03    -0.01  -0.01  -0.03
    30   1     0.68   0.21  -0.12     0.74   0.24   0.38     0.67   0.16  -0.32
    31   1     0.23   0.21   0.16     0.06   0.14   0.07    -0.16  -0.22  -0.13
    32   1     0.04   0.01  -0.10     0.03   0.15   0.02     0.01  -0.05   0.12
    33   1     0.15   0.12   0.02    -0.12  -0.03  -0.12     0.04   0.01   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    662.8448               726.9254               753.0541
 Red. masses --      5.7867                 3.1266                 4.0165
 Frc consts  --      1.4980                 0.9734                 1.3420
 IR Inten    --      5.3118                20.3421                 7.6635
 RamAct Fr= 1--      6.1638                 1.5710                 4.2528
  Dep-P Fr= 1--      0.5415                 0.1718                 0.0884
  Dep-U Fr= 1--      0.7026                 0.2933                 0.1624
 Alpha2 Fr= 1--      0.0247                 0.0230                 0.0766
 Beta2  Fr= 1--      0.7218                 0.0768                 0.1151
 AlphaG Fr= 1--     -0.0453                -0.0122                 0.0095
 Gamma2 Fr= 1--     -0.3869                -0.7620                -0.5653
 Delta2 Fr= 1--     -0.1436                -0.1324                 0.1362
 Raman1 Fr= 1--      24.655                  6.284                 17.011
 ROA1   Fr= 1--     -41.738                -77.390                -49.914
 CID1   Fr= 1--      -1.693                -12.315                 -2.934
 Raman2 Fr= 1--       8.661                  0.921                  1.381
 ROA2   Fr= 1--      -8.138                -17.229                -14.658
 CID2   Fr= 1--      -0.940                -18.698                -10.613
 Raman3 Fr= 1--      17.323                  1.843                  2.762
 ROA3   Fr= 1--     -41.738                -77.390                -49.914
 CID3   Fr= 1--      -2.409                -41.993                -18.069
 RC180  Fr= 1--       0.405                 -0.413                 -0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.23  -0.04   0.18    -0.10   0.04   0.10    -0.01  -0.15   0.03
     2   6    -0.02  -0.05   0.08     0.05  -0.04  -0.02     0.08   0.22   0.07
     3   6    -0.25   0.07  -0.14    -0.10  -0.04   0.04     0.01   0.11   0.10
     4   6     0.02   0.01  -0.09    -0.03   0.08   0.03    -0.07  -0.21  -0.07
     5   6     0.24   0.03  -0.17    -0.08  -0.02  -0.02    -0.01   0.15  -0.02
     6   6     0.28  -0.08   0.16    -0.07   0.08  -0.01    -0.03  -0.10  -0.09
     7   6    -0.03  -0.01   0.03     0.16  -0.07  -0.05     0.04   0.07   0.00
     8   6     0.00   0.01   0.01     0.00   0.02   0.04     0.00  -0.02  -0.05
     9   6     0.00  -0.00   0.00    -0.01   0.03  -0.00     0.01  -0.06   0.01
    10   6     0.01   0.00   0.00    -0.02   0.00   0.01    -0.07   0.00  -0.01
    11   6     0.01   0.06  -0.07     0.13   0.03  -0.12    -0.00  -0.00   0.00
    12   6    -0.00   0.09   0.03     0.17  -0.01   0.01     0.20   0.06   0.01
    13   8    -0.01  -0.02   0.10    -0.05   0.02  -0.07    -0.06  -0.01  -0.00
    14   8    -0.01  -0.03  -0.07    -0.05  -0.05   0.09    -0.06  -0.02   0.01
    15   1    -0.11  -0.01   0.24    -0.22  -0.06   0.01    -0.08  -0.36  -0.07
    16   1    -0.19   0.13  -0.16    -0.13  -0.28  -0.03     0.09   0.31   0.12
    17   1     0.14   0.11  -0.19    -0.11  -0.25  -0.10     0.05   0.32   0.06
    18   1     0.24  -0.02   0.21    -0.16  -0.05   0.01    -0.12  -0.36  -0.13
    19   1     0.01  -0.11   0.04     0.20  -0.03  -0.04     0.04  -0.07  -0.00
    20   1    -0.07   0.02   0.14     0.21  -0.05  -0.04    -0.07   0.07   0.13
    21   1     0.02   0.03   0.02    -0.07  -0.03   0.02    -0.03  -0.05  -0.06
    22   1     0.00  -0.02   0.00    -0.01   0.06  -0.03     0.02  -0.06   0.04
    23   1    -0.00  -0.01   0.00     0.01  -0.02  -0.00    -0.00   0.00   0.01
    24   1    -0.01   0.01  -0.01     0.01   0.05  -0.04     0.03  -0.10   0.06
    25   1     0.01   0.00   0.00    -0.14  -0.03  -0.03    -0.02   0.00   0.01
    26   1     0.02   0.00   0.00    -0.05  -0.04  -0.06    -0.08   0.02   0.02
    27   1     0.01   0.00   0.00     0.13  -0.05  -0.06    -0.12   0.02   0.02
    28   1    -0.01   0.03  -0.09     0.07  -0.04  -0.16    -0.04   0.04   0.01
    29   6    -0.03  -0.03  -0.05     0.02   0.01  -0.02    -0.00  -0.00  -0.00
    30   1     0.16   0.05  -0.33     0.35   0.05   0.22     0.28   0.07   0.00
    31   1    -0.11  -0.16  -0.12    -0.20  -0.20  -0.14     0.05  -0.02  -0.00
    32   1    -0.02  -0.07   0.02     0.07   0.08   0.24    -0.01  -0.10  -0.06
    33   1     0.02  -0.01   0.07    -0.02  -0.00   0.14     0.10   0.03   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    802.7577               823.2517               834.4854
 Red. masses --      2.3022                 3.8681                 2.8874
 Frc consts  --      0.8741                 1.5446                 1.1847
 IR Inten    --      7.5036                 7.1178                 1.5445
 RamAct Fr= 1--     30.1268                 1.5299                 2.7820
  Dep-P Fr= 1--      0.0444                 0.0812                 0.2897
  Dep-U Fr= 1--      0.0851                 0.1501                 0.4493
 Alpha2 Fr= 1--      0.6030                 0.0280                 0.0294
 Beta2  Fr= 1--      0.4273                 0.0383                 0.2083
 AlphaG Fr= 1--      0.1602                 0.0342                 0.0159
 Gamma2 Fr= 1--     -0.0218                -0.3190                 1.7865
 Delta2 Fr= 1--      0.2545                 0.5164                 0.4786
 Raman1 Fr= 1--     120.507                  6.119                 11.128
 ROA1   Fr= 1--       6.055                -14.101                186.820
 CID1   Fr= 1--       0.050                 -2.304                 16.788
 Raman2 Fr= 1--       5.128                  0.459                  2.500
 ROA2   Fr= 1--      -2.558                -11.788                 39.047
 CID2   Fr= 1--      -0.499                -25.662                 15.620
 Raman3 Fr= 1--      10.255                  0.919                  5.000
 ROA3   Fr= 1--       6.055                -14.101                186.820
 CID3   Fr= 1--       0.590                -15.349                 37.367
 RC180  Fr= 1--      -0.830                 -0.700                 -0.101
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.04     0.07   0.03   0.02     0.02  -0.02   0.02
     2   6     0.03   0.01  -0.00    -0.02  -0.12  -0.03    -0.00   0.07   0.02
     3   6    -0.00  -0.06   0.03     0.06  -0.05   0.01     0.04  -0.01   0.05
     4   6    -0.02   0.06   0.02    -0.04   0.13   0.06    -0.04  -0.05  -0.02
     5   6    -0.00  -0.05  -0.05     0.06  -0.01  -0.09     0.05  -0.00  -0.05
     6   6     0.00  -0.03  -0.04     0.04   0.04  -0.04     0.05  -0.02  -0.04
     7   6     0.01   0.13   0.04    -0.15   0.06   0.07    -0.10  -0.12  -0.02
     8   6     0.01  -0.00  -0.09    -0.01  -0.01  -0.03    -0.04  -0.04   0.09
     9   6     0.04  -0.12   0.03     0.01  -0.02   0.00    -0.06   0.14  -0.04
    10   6    -0.08   0.01  -0.02     0.02  -0.01  -0.02     0.11  -0.02   0.02
    11   6     0.01   0.08  -0.08    -0.12   0.03   0.10    -0.08   0.13  -0.07
    12   6    -0.08  -0.08  -0.02     0.31   0.06  -0.02    -0.04  -0.08  -0.04
    13   8     0.03   0.00  -0.06    -0.07  -0.05  -0.04     0.02  -0.02  -0.08
    14   8     0.03  -0.03   0.08    -0.07  -0.03   0.04     0.03  -0.05   0.11
    15   1    -0.03   0.33   0.15     0.11   0.15   0.08     0.00  -0.11  -0.01
    16   1     0.04   0.22   0.12     0.14  -0.19  -0.10     0.09   0.07   0.04
    17   1     0.06   0.30   0.09     0.14  -0.15  -0.10     0.14   0.24   0.06
    18   1     0.01   0.39   0.12     0.06   0.22   0.02     0.07   0.03  -0.03
    19   1     0.06  -0.05   0.05    -0.20   0.12   0.06    -0.16   0.01  -0.03
    20   1    -0.02   0.19   0.19    -0.09   0.04  -0.02    -0.20  -0.22  -0.16
    21   1     0.07   0.02  -0.07     0.12   0.08   0.01    -0.07  -0.04   0.08
    22   1     0.04  -0.18   0.11     0.01  -0.04   0.03    -0.05   0.26  -0.14
    23   1    -0.01   0.00   0.02    -0.01   0.04   0.00     0.02   0.02  -0.02
    24   1     0.02  -0.15   0.10    -0.00  -0.04   0.04    -0.01   0.15  -0.10
    25   1     0.10   0.01   0.04     0.19   0.03   0.04    -0.06   0.02  -0.03
    26   1    -0.13   0.04   0.07     0.05   0.04   0.07     0.25  -0.02  -0.07
    27   1    -0.23   0.04   0.07    -0.15   0.05   0.07     0.18  -0.00  -0.07
    28   1    -0.01   0.01  -0.11    -0.18   0.18   0.14    -0.14   0.10  -0.10
    29   6     0.03   0.05   0.01    -0.09  -0.05  -0.05     0.01   0.08   0.02
    30   1    -0.05  -0.07   0.19     0.18   0.02   0.16    -0.02  -0.09   0.25
    31   1    -0.11  -0.13  -0.08     0.12   0.01   0.01    -0.03  -0.16  -0.07
    32   1     0.05   0.03   0.16    -0.14  -0.26  -0.31     0.01  -0.13   0.04
    33   1     0.05   0.06   0.18     0.13   0.02  -0.02     0.23   0.16   0.31
                     31                     32                     33
                      A                      A                      A
 Frequencies --    851.3763               857.2046               872.8283
 Red. masses --      1.2785                 3.4398                 1.9483
 Frc consts  --      0.5460                 1.4892                 0.8745
 IR Inten    --      0.4032                 2.9320                20.7953
 RamAct Fr= 1--      1.0396                15.7622                 5.7533
  Dep-P Fr= 1--      0.7465                 0.1202                 0.0352
  Dep-U Fr= 1--      0.8548                 0.2146                 0.0680
 Alpha2 Fr= 1--      0.0001                 0.2626                 0.1177
 Beta2  Fr= 1--      0.1481                 0.5637                 0.0652
 AlphaG Fr= 1--      0.0019                -0.1426                 0.1099
 Gamma2 Fr= 1--      0.2387                 0.6493                -1.0343
 Delta2 Fr= 1--      0.0217                -0.4985                -0.3099
 Raman1 Fr= 1--       4.159                 63.049                 23.013
 ROA1   Fr= 1--      23.610                 46.381               -109.212
 CID1   Fr= 1--       5.678                  0.736                 -4.746
 Raman2 Fr= 1--       1.777                  6.765                  0.782
 ROA2   Fr= 1--       5.556                 19.572                -22.345
 CID2   Fr= 1--       3.126                  2.893                -28.568
 Raman3 Fr= 1--       3.555                 13.529                  1.564
 ROA3   Fr= 1--      23.610                 46.381               -109.212
 CID3   Fr= 1--       6.642                  3.428                -69.814
 RC180  Fr= 1--       0.710                 -0.571                 -0.864
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03     0.01   0.07  -0.15    -0.01  -0.07  -0.03
     2   6     0.00   0.01   0.00    -0.03   0.03   0.01     0.02   0.12   0.04
     3   6     0.00   0.06   0.03    -0.05   0.08  -0.16    -0.02  -0.07  -0.04
     4   6     0.00   0.01   0.00     0.04  -0.01  -0.01     0.02   0.11   0.04
     5   6    -0.01  -0.07  -0.03    -0.03  -0.07   0.16    -0.03  -0.06  -0.00
     6   6    -0.01  -0.07  -0.04     0.04  -0.08   0.16    -0.02  -0.06  -0.01
     7   6     0.00  -0.01   0.01     0.14   0.00  -0.06     0.05  -0.05  -0.05
     8   6    -0.00  -0.00  -0.00     0.03   0.03  -0.01    -0.01  -0.03   0.03
     9   6    -0.00   0.00  -0.00     0.02  -0.04   0.02    -0.03   0.06  -0.02
    10   6    -0.00  -0.00  -0.00    -0.06   0.02   0.01     0.03  -0.01   0.02
    11   6     0.02  -0.02   0.01    -0.14   0.10   0.03     0.03  -0.03   0.05
    12   6    -0.00   0.01   0.00     0.06  -0.03  -0.03     0.07   0.02   0.01
    13   8    -0.00   0.00   0.01    -0.00  -0.03  -0.06    -0.02  -0.00   0.02
    14   8    -0.00   0.01  -0.02    -0.00  -0.04   0.07    -0.02   0.01  -0.03
    15   1    -0.05  -0.45  -0.15     0.13  -0.14  -0.17     0.04   0.44   0.15
    16   1    -0.04  -0.45  -0.15    -0.17  -0.03  -0.13     0.02   0.43   0.14
    17   1     0.04   0.48   0.15    -0.17   0.13   0.17    -0.02   0.35   0.12
    18   1     0.02   0.47   0.16     0.15  -0.00   0.12    -0.01   0.33   0.14
    19   1    -0.01   0.04   0.01     0.22  -0.12  -0.04     0.05  -0.13  -0.05
    20   1     0.01  -0.02  -0.03     0.15   0.07   0.09    -0.08  -0.08   0.00
    21   1     0.02   0.02   0.00    -0.06  -0.04  -0.04    -0.13  -0.10  -0.00
    22   1    -0.00   0.01  -0.00     0.02  -0.11   0.04    -0.02   0.13  -0.07
    23   1    -0.00   0.02  -0.00    -0.01  -0.05   0.01     0.02  -0.01  -0.01
    24   1     0.01  -0.01   0.01    -0.01  -0.01  -0.00     0.00   0.06  -0.05
    25   1     0.01   0.00   0.00    -0.13  -0.04  -0.02    -0.16   0.00  -0.04
    26   1    -0.01   0.00   0.00    -0.16  -0.02  -0.03     0.10  -0.03  -0.07
    27   1    -0.01   0.00   0.01     0.08  -0.04  -0.03     0.14  -0.01  -0.08
    28   1     0.03  -0.04   0.01    -0.19   0.18   0.05     0.06  -0.00   0.07
    29   6     0.00  -0.01  -0.00    -0.06   0.03  -0.00    -0.03  -0.06  -0.03
    30   1    -0.01   0.01  -0.04     0.01  -0.05   0.19     0.03   0.03  -0.04
    31   1    -0.01   0.03   0.01     0.11  -0.05   0.00     0.01   0.07   0.02
    32   1     0.01   0.04   0.01    -0.11  -0.27  -0.25    -0.03   0.03  -0.06
    33   1    -0.05  -0.03  -0.05     0.25   0.13   0.16    -0.12  -0.09  -0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.0638               936.4969               955.6550
 Red. masses --      1.5004                 1.1980                 1.7201
 Frc consts  --      0.7114                 0.6190                 0.9256
 IR Inten    --      1.3825                 1.9276                 0.3947
 RamAct Fr= 1--      2.1823                 1.3091                 5.7726
  Dep-P Fr= 1--      0.7359                 0.5042                 0.7224
  Dep-U Fr= 1--      0.8479                 0.6704                 0.8388
 Alpha2 Fr= 1--      0.0005                 0.0063                 0.0027
 Beta2  Fr= 1--      0.3084                 0.1463                 0.8070
 AlphaG Fr= 1--     -0.0027                -0.0223                -0.0265
 Gamma2 Fr= 1--      0.6796                 0.3237                 0.5729
 Delta2 Fr= 1--      0.2986                 0.7471                -0.5355
 Raman1 Fr= 1--       8.729                  5.237                 23.090
 ROA1   Fr= 1--      74.796                 54.985                 37.860
 CID1   Fr= 1--       8.568                 10.500                  1.640
 Raman2 Fr= 1--       3.701                  1.755                  9.684
 ROA2   Fr= 1--      13.921                  1.793                 18.033
 CID2   Fr= 1--       3.762                  1.022                  1.862
 Raman3 Fr= 1--       7.401                  3.511                 19.368
 ROA3   Fr= 1--      74.796                 54.985                 37.860
 CID3   Fr= 1--      10.106                 15.663                  1.955
 RC180  Fr= 1--       0.696                  0.341                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.04    -0.00   0.00  -0.01    -0.00   0.00   0.01
     2   6     0.01   0.03   0.02     0.01   0.01   0.00    -0.02   0.00   0.01
     3   6    -0.04  -0.00  -0.03    -0.01  -0.00  -0.01     0.01  -0.03   0.01
     4   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.02   0.01
     5   6     0.01  -0.00   0.01    -0.00  -0.00   0.01     0.01  -0.07  -0.05
     6   6     0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.08   0.00
     7   6     0.06  -0.07   0.14     0.02   0.00   0.01    -0.05  -0.11  -0.02
     8   6     0.00  -0.04  -0.02    -0.05   0.00  -0.01     0.08   0.09   0.01
     9   6    -0.02   0.01  -0.06    -0.07  -0.00   0.05     0.06  -0.03   0.04
    10   6    -0.03  -0.01  -0.02     0.04   0.03  -0.07    -0.07   0.08  -0.01
    11   6     0.00   0.01   0.00     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.02   0.06  -0.03    -0.00  -0.00  -0.01    -0.01  -0.04  -0.01
    16   1    -0.09   0.12   0.05    -0.02   0.04   0.01     0.02   0.12   0.06
    17   1     0.03   0.01   0.03    -0.01   0.02   0.01     0.08   0.47   0.14
    18   1     0.02  -0.00  -0.03    -0.00  -0.01   0.00    -0.03  -0.41  -0.18
    19   1    -0.10   0.49   0.11     0.03   0.02   0.01    -0.19  -0.01  -0.05
    20   1     0.20  -0.25  -0.41     0.05   0.02   0.01    -0.03  -0.15  -0.15
    21   1     0.14   0.27   0.03     0.25  -0.23   0.07     0.15   0.09   0.03
    22   1     0.01   0.13   0.10    -0.04   0.39  -0.29     0.03  -0.24   0.06
    23   1    -0.03   0.35  -0.04     0.25  -0.35   0.10    -0.03  -0.10   0.01
    24   1     0.08  -0.23   0.21     0.17  -0.06  -0.10    -0.08   0.13  -0.07
    25   1     0.11   0.01   0.03     0.44  -0.14   0.06    -0.01  -0.11   0.01
    26   1    -0.05   0.02   0.04    -0.31   0.01   0.16    -0.44  -0.02   0.04
    27   1    -0.15   0.01   0.07    -0.01  -0.09   0.16     0.16  -0.11   0.04
    28   1    -0.02   0.00  -0.01    -0.00  -0.00   0.00     0.02   0.02   0.02
    29   6    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.01
    31   1    -0.02  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.01  -0.00
    32   1     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.00  -0.01
    33   1    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.03  -0.02  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.9428               971.9055               974.3107
 Red. masses --      1.5107                 1.4388                 1.4561
 Frc consts  --      0.8219                 0.8008                 0.8144
 IR Inten    --      0.0411                 0.0452                 0.0419
 RamAct Fr= 1--      1.4517                 1.8594                 1.2327
  Dep-P Fr= 1--      0.7056                 0.5227                 0.7499
  Dep-U Fr= 1--      0.8274                 0.6866                 0.8571
 Alpha2 Fr= 1--      0.0011                 0.0082                 0.0000
 Beta2  Fr= 1--      0.2002                 0.2128                 0.1761
 AlphaG Fr= 1--      0.0073                -0.0223                 0.0002
 Gamma2 Fr= 1--      0.7718                 0.6101                -0.0890
 Delta2 Fr= 1--      0.3063                -0.2103                 0.8391
 Raman1 Fr= 1--       5.807                  7.438                  4.931
 ROA1   Fr= 1--      83.889                 51.844                 18.306
 CID1   Fr= 1--      14.447                  6.971                  3.713
 Raman2 Fr= 1--       2.402                  2.553                  2.113
 ROA2   Fr= 1--      16.072                 16.326                 -8.848
 CID2   Fr= 1--       6.690                  6.394                 -4.187
 Raman3 Fr= 1--       4.805                  5.106                  4.226
 ROA3   Fr= 1--      83.889                 51.844                 18.306
 CID3   Fr= 1--      17.460                 10.153                  4.331
 RC180  Fr= 1--       0.655                  0.373                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.03   0.01    -0.00  -0.05  -0.01    -0.01  -0.10  -0.05
     2   6    -0.01   0.03   0.01    -0.01   0.01   0.00     0.00   0.03   0.01
     3   6     0.00  -0.05  -0.01     0.01   0.04   0.02     0.01   0.10   0.03
     4   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.01  -0.02  -0.00
     5   6     0.02   0.09   0.02     0.01   0.01  -0.01     0.00   0.01   0.01
     6   6    -0.01  -0.10  -0.05     0.00  -0.00  -0.00     0.00  -0.02  -0.00
     7   6    -0.03  -0.08  -0.02    -0.02   0.00  -0.01     0.00  -0.05  -0.00
     8   6     0.05   0.05   0.01    -0.06   0.06  -0.02     0.06  -0.01   0.01
     9   6     0.03  -0.02   0.02    -0.03  -0.11  -0.01     0.02   0.05   0.01
    10   6    -0.04   0.06   0.00     0.08   0.07   0.03    -0.06   0.00  -0.01
    11   6    -0.00  -0.00  -0.01    -0.01  -0.01  -0.00    -0.02  -0.02  -0.01
    12   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.19  -0.06     0.03   0.25   0.09     0.05   0.59   0.19
    16   1     0.03   0.22   0.09    -0.00  -0.26  -0.09    -0.05  -0.56  -0.21
    17   1    -0.01  -0.51  -0.18     0.01  -0.02  -0.01    -0.00  -0.10  -0.03
    18   1     0.05   0.56   0.18     0.01   0.02   0.00     0.02   0.11   0.04
    19   1    -0.13  -0.03  -0.04    -0.05  -0.01  -0.01    -0.05  -0.01  -0.01
    20   1    -0.05  -0.12  -0.10    -0.04  -0.01  -0.01    -0.03  -0.09  -0.08
    21   1     0.09   0.05   0.02    -0.22   0.17  -0.06     0.16  -0.07   0.04
    22   1     0.02  -0.12   0.03     0.02   0.17   0.07    -0.01  -0.10  -0.03
    23   1    -0.01  -0.07   0.01     0.07   0.14   0.03    -0.02  -0.09  -0.01
    24   1    -0.04   0.07  -0.04     0.19  -0.39   0.24    -0.09   0.21  -0.13
    25   1    -0.03  -0.08   0.00    -0.14  -0.13  -0.04     0.05   0.01   0.02
    26   1    -0.30  -0.02   0.01    -0.21  -0.09  -0.11    -0.08   0.03   0.05
    27   1     0.16  -0.08   0.02     0.53  -0.15  -0.08    -0.15   0.02   0.05
    28   1    -0.01   0.00  -0.01    -0.01  -0.02  -0.01    -0.05  -0.05  -0.03
    29   6     0.00   0.01   0.00     0.01   0.01   0.01     0.02   0.02   0.01
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.01
    31   1     0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.02  -0.02  -0.01
    32   1     0.00  -0.01   0.01     0.01   0.00   0.01     0.02   0.01   0.04
    33   1     0.02   0.01   0.02     0.01   0.01   0.02     0.02   0.02   0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.8744              1044.7970              1059.9139
 Red. masses --      1.9411                 2.8670                 1.7423
 Frc consts  --      1.1479                 1.8439                 1.1532
 IR Inten    --     26.5497                17.1245                64.8160
 RamAct Fr= 1--      7.3563                 0.5884                 3.7045
  Dep-P Fr= 1--      0.4015                 0.1436                 0.2341
  Dep-U Fr= 1--      0.5730                 0.2511                 0.3795
 Alpha2 Fr= 1--      0.0542                 0.0092                 0.0459
 Beta2  Fr= 1--      0.7025                 0.0246                 0.2343
 AlphaG Fr= 1--      0.1063                 0.0028                 0.0497
 Gamma2 Fr= 1--     -0.1335                -0.0295                -0.6313
 Delta2 Fr= 1--     -0.8771                -0.1535                -1.0169
 Raman1 Fr= 1--      29.425                  2.354                 14.818
 ROA1   Fr= 1--     -40.881                 -7.745                -93.144
 CID1   Fr= 1--      -1.389                 -3.290                 -6.286
 Raman2 Fr= 1--       8.430                  0.296                  2.811
 ROA2   Fr= 1--       3.813                  0.520                 -7.016
 CID2   Fr= 1--       0.452                  1.758                 -2.496
 Raman3 Fr= 1--      16.860                  0.591                  5.623
 ROA3   Fr= 1--     -40.881                 -7.745                -93.144
 CID3   Fr= 1--      -2.425                -13.102                -16.566
 RC180  Fr= 1--       0.146                 -0.498                 -0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.04    -0.02  -0.07   0.20     0.03  -0.00   0.01
     2   6    -0.00   0.01  -0.01     0.03  -0.01  -0.00     0.01  -0.00   0.01
     3   6     0.00   0.02   0.04    -0.04   0.06  -0.17    -0.02   0.03  -0.08
     4   6     0.05  -0.03  -0.03     0.06  -0.00  -0.01    -0.06  -0.01   0.02
     5   6    -0.00   0.02   0.02    -0.01  -0.06   0.17    -0.00  -0.02   0.05
     6   6    -0.03   0.01  -0.03    -0.06   0.07  -0.19     0.02   0.01  -0.03
     7   6     0.01  -0.00   0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.10   0.14   0.01     0.02  -0.00   0.03    -0.07  -0.00  -0.04
    12   6    -0.07   0.02  -0.06    -0.00  -0.04   0.03     0.01   0.08  -0.07
    13   8     0.02  -0.01  -0.02     0.00   0.01   0.01    -0.00  -0.01  -0.01
    14   8     0.02  -0.04   0.08    -0.00   0.02  -0.04     0.00  -0.04   0.10
    15   1    -0.09   0.06   0.05     0.25  -0.12   0.31     0.17  -0.05   0.06
    16   1    -0.02  -0.15  -0.01     0.19   0.08  -0.33     0.10   0.08  -0.15
    17   1    -0.03  -0.09  -0.03     0.27  -0.12   0.28     0.11  -0.04   0.09
    18   1    -0.01   0.04  -0.02     0.19   0.11  -0.37     0.11   0.01  -0.09
    19   1     0.03   0.02   0.01    -0.07  -0.02  -0.01    -0.05  -0.01  -0.01
    20   1    -0.01  -0.02  -0.01    -0.02  -0.00   0.00     0.01   0.01   0.00
    21   1     0.02   0.01   0.01    -0.01  -0.01  -0.00    -0.02  -0.01  -0.01
    22   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    23   1     0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.02   0.00
    24   1     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    25   1     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    26   1    -0.01   0.00   0.01    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    27   1    -0.02   0.00   0.01     0.02  -0.00  -0.01     0.02  -0.00  -0.01
    28   1     0.34   0.51   0.20     0.04  -0.11  -0.01    -0.31   0.23  -0.00
    29   6    -0.09  -0.11  -0.03    -0.04   0.03  -0.01     0.11  -0.06   0.03
    30   1     0.03  -0.02  -0.04    -0.01  -0.00   0.08     0.01   0.00  -0.20
    31   1     0.19   0.24   0.13     0.03  -0.12  -0.05    -0.14   0.20   0.07
    32   1    -0.15  -0.06  -0.38    -0.07  -0.18  -0.10     0.18   0.41   0.31
    33   1    -0.08  -0.12  -0.38     0.16   0.10   0.16    -0.37  -0.22  -0.30
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1089.3827              1111.9344              1138.9599
 Red. masses --      1.9097                 1.7666                 2.2052
 Frc consts  --      1.3353                 1.2869                 1.6855
 IR Inten    --      7.3777                 1.5399                 0.3761
 RamAct Fr= 1--      2.9364                 5.0647                22.6667
  Dep-P Fr= 1--      0.5991                 0.2298                 0.3557
  Dep-U Fr= 1--      0.7493                 0.3737                 0.5247
 Alpha2 Fr= 1--      0.0082                 0.0635                 0.1954
 Beta2  Fr= 1--      0.3667                 0.3155                 1.9823
 AlphaG Fr= 1--     -0.0322                -0.0810                 0.0770
 Gamma2 Fr= 1--      2.0755                -2.9559                -2.5788
 Delta2 Fr= 1--      2.4641                -1.4054                -1.6793
 Raman1 Fr= 1--      11.746                 20.259                 90.667
 ROA1   Fr= 1--     278.100               -328.741               -301.304
 CID1   Fr= 1--      23.677                -16.227                 -3.323
 Raman2 Fr= 1--       4.401                  3.785                 23.787
 ROA2   Fr= 1--      30.100                -59.699                -48.457
 CID2   Fr= 1--       6.840                -15.771                 -2.037
 Raman3 Fr= 1--       8.801                  7.571                 47.574
 ROA3   Fr= 1--     278.100               -328.741               -301.304
 CID3   Fr= 1--      31.598                -43.422                 -6.333
 RC180  Fr= 1--       0.499                 -0.253                  0.049
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.06     0.01  -0.01   0.03     0.01   0.02  -0.00
     2   6     0.01  -0.01   0.07    -0.01  -0.00  -0.04    -0.03  -0.06   0.00
     3   6    -0.03   0.02  -0.02     0.02   0.01  -0.01    -0.01   0.00   0.00
     4   6     0.02  -0.05   0.05    -0.01  -0.03  -0.01     0.02  -0.00   0.01
     5   6     0.03   0.03  -0.05    -0.02   0.01   0.00     0.03   0.00  -0.02
     6   6    -0.04   0.02  -0.04     0.00  -0.01   0.03    -0.02   0.02  -0.01
     7   6     0.01  -0.00   0.06    -0.02   0.02  -0.08     0.02   0.10   0.05
     8   6    -0.03   0.01  -0.07     0.05  -0.02   0.08     0.18  -0.15  -0.04
     9   6     0.01   0.00   0.05    -0.02   0.00  -0.06    -0.07   0.05  -0.05
    10   6     0.02  -0.01   0.03    -0.03   0.01  -0.02    -0.08   0.07   0.09
    11   6     0.05   0.07   0.15     0.03   0.07   0.15    -0.01  -0.01  -0.02
    12   6    -0.03  -0.01  -0.01    -0.02  -0.01  -0.01    -0.00   0.01  -0.00
    13   8     0.01  -0.01  -0.01     0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    14   8     0.01  -0.00  -0.00     0.00   0.00  -0.01     0.00  -0.00   0.01
    15   1     0.14   0.01  -0.01     0.06  -0.04   0.04     0.12  -0.08   0.02
    16   1    -0.22  -0.05   0.08     0.13  -0.00  -0.09    -0.12  -0.02   0.07
    17   1     0.18  -0.05  -0.01    -0.13  -0.02  -0.05     0.14  -0.02   0.02
    18   1    -0.21  -0.00   0.07    -0.03  -0.02   0.05    -0.11  -0.05   0.03
    19   1    -0.36  -0.03  -0.04     0.39  -0.01   0.03    -0.12  -0.09   0.01
    20   1     0.36   0.12  -0.00    -0.42  -0.10   0.03    -0.19  -0.01   0.01
    21   1    -0.19  -0.17  -0.11     0.21   0.14   0.13     0.21  -0.48  -0.04
    22   1    -0.01  -0.07  -0.06     0.01   0.10   0.07    -0.04   0.29  -0.11
    23   1     0.01  -0.20   0.03    -0.01   0.23  -0.04     0.07   0.13  -0.02
    24   1    -0.03   0.12  -0.10     0.04  -0.14   0.12     0.11  -0.08  -0.01
    25   1    -0.10   0.02  -0.02     0.09  -0.02   0.02    -0.43  -0.09  -0.03
    26   1     0.10  -0.02  -0.06    -0.12   0.02   0.06    -0.23  -0.08  -0.12
    27   1     0.07   0.01  -0.06    -0.07  -0.02   0.06     0.23  -0.04  -0.08
    28   1    -0.16   0.07   0.10    -0.13   0.04   0.11    -0.01  -0.00  -0.02
    29   6    -0.00  -0.02  -0.12     0.02  -0.02  -0.11    -0.00   0.01   0.02
    30   1    -0.00  -0.01   0.08     0.00  -0.01   0.11    -0.00   0.01  -0.05
    31   1    -0.27  -0.24  -0.24    -0.28  -0.21  -0.23     0.04   0.03   0.03
    32   1     0.05   0.01   0.18     0.08   0.06   0.24    -0.02  -0.02  -0.04
    33   1    -0.10  -0.04   0.09    -0.14  -0.06   0.08     0.03   0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1152.6767              1186.8430              1193.8634
 Red. masses --      1.3963                 2.0797                 1.7720
 Frc consts  --      1.0931                 1.7260                 1.4881
 IR Inten    --      0.9080               139.9553                 9.5501
 RamAct Fr= 1--      0.5524                 6.4917                 2.8421
  Dep-P Fr= 1--      0.6248                 0.2422                 0.6351
  Dep-U Fr= 1--      0.7691                 0.3900                 0.7768
 Alpha2 Fr= 1--      0.0013                 0.0786                 0.0059
 Beta2  Fr= 1--      0.0708                 0.4219                 0.3680
 AlphaG Fr= 1--      0.0058                -0.0538                 0.0032
 Gamma2 Fr= 1--      0.4712                 0.9454                -1.7353
 Delta2 Fr= 1--      0.3307                 0.4411                 0.5202
 Raman1 Fr= 1--       2.210                 25.967                 11.368
 ROA1   Fr= 1--      55.822                104.873               -149.944
 CID1   Fr= 1--      25.263                  4.039                -13.190
 Raman2 Fr= 1--       0.850                  5.063                  4.416
 ROA2   Fr= 1--       8.664                 19.160                -45.809
 CID2   Fr= 1--      10.197                  3.784                -10.374
 Raman3 Fr= 1--       1.699                 10.126                  8.831
 ROA3   Fr= 1--      55.822                104.873               -149.944
 CID3   Fr= 1--      32.848                 10.357                -16.979
 RC180  Fr= 1--       0.538                 -0.220                  0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00   0.01     0.04   0.01  -0.03    -0.00  -0.00  -0.01
     2   6    -0.01  -0.00  -0.01     0.02  -0.00  -0.01     0.01  -0.00   0.01
     3   6     0.07  -0.01   0.01    -0.04   0.01   0.00     0.00  -0.00  -0.00
     4   6    -0.03   0.00  -0.03    -0.09  -0.01  -0.02     0.01  -0.00   0.00
     5   6    -0.07   0.00   0.02     0.01  -0.01   0.03    -0.00   0.00  -0.00
     6   6     0.08  -0.01   0.01     0.02  -0.01   0.02     0.00   0.00  -0.01
     7   6     0.01   0.01   0.06    -0.01   0.00   0.00    -0.02  -0.04  -0.05
     8   6     0.02  -0.03  -0.05     0.01   0.00  -0.00     0.12   0.15  -0.02
     9   6    -0.01   0.01   0.02    -0.01  -0.00   0.00    -0.10  -0.06   0.04
    10   6    -0.01   0.01   0.03    -0.00  -0.00   0.01    -0.05  -0.10   0.05
    11   6     0.00   0.02   0.04    -0.03   0.12  -0.07     0.00  -0.00   0.00
    12   6     0.00  -0.01   0.01     0.04  -0.10   0.10    -0.00   0.00  -0.00
    13   8    -0.00   0.00   0.01    -0.01   0.04   0.05     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.02     0.00  -0.00  -0.14    -0.00   0.00   0.01
    15   1    -0.42   0.07  -0.13     0.11  -0.01  -0.00    -0.02   0.02  -0.01
    16   1     0.37   0.04  -0.19    -0.06  -0.03  -0.00    -0.02  -0.00   0.01
    17   1    -0.38   0.05  -0.10     0.25  -0.08   0.12    -0.02   0.01  -0.01
    18   1     0.45   0.04  -0.25    -0.03  -0.02   0.05     0.02   0.01  -0.02
    19   1    -0.18   0.03   0.01    -0.05  -0.01  -0.01    -0.19  -0.17  -0.10
    20   1     0.13   0.02  -0.04    -0.02  -0.00  -0.00     0.04   0.01  -0.01
    21   1    -0.03  -0.14  -0.07     0.02   0.01  -0.00     0.28   0.33   0.03
    22   1    -0.01   0.02  -0.06    -0.00   0.02  -0.01    -0.05   0.33  -0.11
    23   1     0.02  -0.09   0.02     0.01  -0.01   0.01     0.26  -0.15   0.11
    24   1     0.01   0.05  -0.06     0.01  -0.01  -0.00     0.23  -0.25   0.03
    25   1    -0.14  -0.01  -0.01    -0.02   0.01  -0.00    -0.23   0.22  -0.00
    26   1    -0.00  -0.03  -0.06     0.01  -0.00  -0.01     0.34   0.01  -0.03
    27   1     0.09  -0.00  -0.05    -0.00   0.01  -0.01    -0.26   0.15  -0.10
    28   1     0.02  -0.00   0.03     0.20   0.14  -0.01    -0.02  -0.00  -0.00
    29   6     0.01  -0.01  -0.03     0.03  -0.07   0.01    -0.00   0.00   0.00
    30   1     0.00  -0.01   0.11     0.02  -0.11   0.75    -0.00   0.00  -0.03
    31   1    -0.07  -0.03  -0.05    -0.02   0.19   0.09     0.00  -0.01  -0.00
    32   1     0.03   0.03   0.08     0.05   0.22   0.02    -0.00  -0.01  -0.00
    33   1    -0.05  -0.03   0.01    -0.14  -0.12  -0.19     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.1197              1221.2546              1237.0447
 Red. masses --      1.2992                 2.1025                 2.3291
 Frc consts  --      1.1265                 1.8475                 2.0999
 IR Inten    --      4.1673                 9.8177                 1.9744
 RamAct Fr= 1--     39.3896                28.7442                33.0297
  Dep-P Fr= 1--      0.0867                 0.1625                 0.1232
  Dep-U Fr= 1--      0.1596                 0.2795                 0.2194
 Alpha2 Fr= 1--      0.7123                 0.4304                 0.5462
 Beta2  Fr= 1--      1.0477                 1.3392                 1.2075
 AlphaG Fr= 1--      0.1889                 0.1500                 0.0537
 Gamma2 Fr= 1--     -3.6490                 0.5362                 1.0784
 Delta2 Fr= 1--     -1.0081                 0.2280                -0.2806
 Raman1 Fr= 1--     157.559                114.977                132.119
 ROA1   Fr= 1--    -382.563                 58.771                 94.548
 CID1   Fr= 1--      -2.428                  0.511                  0.716
 Raman2 Fr= 1--      12.573                 16.070                 14.490
 ROA2   Fr= 1--     -79.511                 11.044                 28.127
 CID2   Fr= 1--      -6.324                  0.687                  1.941
 Raman3 Fr= 1--      25.145                 32.140                 28.981
 ROA3   Fr= 1--    -382.563                 58.771                 94.548
 CID3   Fr= 1--     -15.214                  1.829                  3.262
 RC180  Fr= 1--      -0.681                 -0.441                 -0.561
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10  -0.00   0.03     0.04   0.00  -0.01
     2   6     0.05  -0.00  -0.01    -0.03   0.00   0.02     0.28  -0.04  -0.01
     3   6     0.01   0.01  -0.03     0.09   0.00  -0.03    -0.07   0.02  -0.05
     4   6    -0.10   0.01   0.00     0.22  -0.02   0.01     0.04  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06   0.00  -0.02    -0.08  -0.01   0.05
     6   6    -0.01  -0.02   0.05    -0.08   0.02  -0.03     0.05   0.01  -0.03
     7   6    -0.02   0.00   0.01     0.02  -0.00  -0.01    -0.10   0.03   0.01
     8   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.00  -0.00   0.07
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.00  -0.04
    10   6    -0.00   0.00   0.00    -0.00  -0.00  -0.01     0.01   0.01  -0.02
    11   6     0.05  -0.01   0.01    -0.11   0.02  -0.02     0.01  -0.00  -0.00
    12   6    -0.01   0.01  -0.01     0.01  -0.02   0.01    -0.00  -0.01   0.00
    13   8     0.00  -0.01  -0.01    -0.01   0.01   0.02    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.02     0.00  -0.01  -0.03     0.00   0.00  -0.00
    15   1    -0.38   0.10  -0.19    -0.50   0.08  -0.12    -0.28   0.07  -0.15
    16   1     0.39   0.08  -0.29     0.21   0.02  -0.11    -0.33  -0.02   0.12
    17   1     0.48  -0.11   0.23     0.04   0.00  -0.04    -0.42   0.06  -0.08
    18   1    -0.31  -0.07   0.26    -0.43  -0.03   0.21    -0.14  -0.03   0.12
    19   1    -0.07  -0.00  -0.00     0.01  -0.02  -0.01    -0.51  -0.20  -0.08
    20   1    -0.04  -0.01   0.00     0.06   0.03   0.03    -0.23  -0.01   0.03
    21   1    -0.00  -0.01  -0.00     0.01  -0.02   0.02    -0.05  -0.08   0.05
    22   1    -0.00   0.00  -0.00     0.00   0.01   0.02     0.01  -0.01   0.07
    23   1     0.00  -0.00   0.00    -0.00   0.04  -0.01    -0.03   0.11  -0.03
    24   1     0.00  -0.00   0.00    -0.00  -0.02   0.02    -0.02  -0.04   0.06
    25   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.08  -0.03   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.01   0.02    -0.06   0.02   0.05
    27   1     0.00   0.00  -0.00    -0.02  -0.00   0.01    -0.02  -0.02   0.05
    28   1     0.19  -0.05   0.02    -0.47   0.12  -0.05    -0.12   0.03  -0.02
    29   6    -0.02   0.01  -0.02     0.03  -0.02   0.03    -0.00  -0.00   0.01
    30   1     0.00   0.02  -0.13     0.00  -0.04   0.23    -0.00   0.00  -0.01
    31   1     0.02  -0.05  -0.03    -0.03   0.09   0.06     0.01   0.01   0.01
    32   1    -0.01  -0.05   0.01     0.02   0.08   0.01    -0.01  -0.01  -0.04
    33   1     0.05   0.03   0.05    -0.08  -0.05  -0.07     0.01   0.00  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.9938              1297.6698              1318.8742
 Red. masses --      1.5924                 2.0473                 1.3479
 Frc consts  --      1.4636                 2.0313                 1.3813
 IR Inten    --      1.2743                 0.8301                 1.2815
 RamAct Fr= 1--      6.5880                 3.4307                21.1165
  Dep-P Fr= 1--      0.5459                 0.2413                 0.2835
  Dep-U Fr= 1--      0.7063                 0.3888                 0.4417
 Alpha2 Fr= 1--      0.0258                 0.0417                 0.2274
 Beta2  Fr= 1--      0.7755                 0.2223                 1.5547
 AlphaG Fr= 1--     -0.0267                 0.0044                -0.0270
 Gamma2 Fr= 1--     -2.7675                 1.6737                -2.2716
 Delta2 Fr= 1--      0.2219                -0.2266                 0.6738
 Raman1 Fr= 1--      26.352                 13.723                 84.466
 ROA1   Fr= 1--    -258.582                153.421               -196.506
 CID1   Fr= 1--      -9.813                 11.180                 -2.326
 Raman2 Fr= 1--       9.306                  2.668                 18.656
 ROA2   Fr= 1--     -68.196                 41.981                -59.908
 CID2   Fr= 1--      -7.328                 15.735                 -3.211
 Raman3 Fr= 1--      18.611                  5.336                 37.312
 ROA3   Fr= 1--    -258.582                153.421               -196.506
 CID3   Fr= 1--     -13.894                 28.752                 -5.267
 RC180  Fr= 1--       0.413                 -0.222                 -0.117
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.04    -0.04   0.02  -0.05     0.02  -0.01   0.01
     2   6    -0.06  -0.00   0.08    -0.00  -0.02   0.04     0.05   0.03  -0.02
     3   6     0.03  -0.00  -0.00     0.02   0.01  -0.05    -0.02   0.00  -0.00
     4   6    -0.04  -0.01   0.03    -0.06  -0.04   0.17    -0.00   0.00  -0.00
     5   6    -0.01   0.01  -0.03    -0.05   0.02  -0.05    -0.00  -0.01   0.02
     6   6     0.01   0.00  -0.02     0.06   0.01  -0.03     0.00  -0.00  -0.00
     7   6     0.02  -0.00  -0.06     0.00   0.00  -0.00    -0.11  -0.05  -0.03
     8   6     0.01   0.00   0.14     0.00  -0.00  -0.01    -0.05  -0.02  -0.04
     9   6    -0.00  -0.02  -0.09    -0.00   0.00   0.01     0.02  -0.00  -0.01
    10   6    -0.01  -0.00  -0.04     0.00  -0.00   0.00    -0.00   0.02   0.06
    11   6     0.02  -0.00  -0.01     0.16  -0.05  -0.05     0.01  -0.01  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00  -0.00
    13   8     0.00   0.00   0.00    -0.00   0.02   0.04    -0.00   0.00   0.00
    14   8     0.00   0.00  -0.00     0.01  -0.01  -0.02     0.00  -0.00  -0.00
    15   1     0.00   0.01  -0.02     0.28  -0.05   0.07    -0.00   0.02   0.01
    16   1     0.05   0.01  -0.02     0.28   0.06  -0.23    -0.00   0.01  -0.02
    17   1     0.13  -0.01   0.03    -0.17   0.06  -0.10    -0.10   0.02  -0.02
    18   1     0.20   0.05  -0.15    -0.11  -0.02   0.08    -0.08  -0.00   0.06
    19   1    -0.31  -0.30  -0.14     0.12   0.04   0.02     0.29   0.23   0.07
    20   1     0.47   0.28   0.18    -0.13  -0.06  -0.03     0.45   0.29   0.19
    21   1     0.09  -0.23   0.16    -0.05   0.07  -0.03     0.61  -0.06   0.14
    22   1     0.03   0.06   0.16    -0.01  -0.00  -0.02     0.01  -0.01  -0.01
    23   1    -0.05   0.31  -0.07     0.01  -0.04   0.01    -0.06   0.07  -0.03
    24   1    -0.03  -0.14   0.15     0.01   0.02  -0.02    -0.04   0.02   0.00
    25   1     0.14  -0.01   0.01     0.00   0.00  -0.00    -0.14  -0.02   0.01
    26   1    -0.05   0.05   0.11    -0.00  -0.00  -0.01     0.06  -0.04  -0.11
    27   1    -0.08  -0.04   0.10    -0.00   0.01  -0.01     0.16  -0.00  -0.08
    28   1     0.05   0.00  -0.00    -0.58   0.29  -0.07    -0.06   0.03  -0.00
    29   6    -0.01   0.00   0.00    -0.06   0.01   0.03    -0.00   0.00   0.00
    30   1     0.00  -0.00   0.01     0.02  -0.04   0.23     0.00  -0.00   0.02
    31   1     0.02   0.00   0.01     0.18  -0.01   0.07     0.01  -0.00   0.00
    32   1    -0.01  -0.01  -0.01    -0.08  -0.10  -0.11    -0.00  -0.01  -0.01
    33   1     0.02   0.01   0.00     0.15   0.06  -0.05     0.01   0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1341.0052              1346.0835              1352.6889
 Red. masses --      1.8151                 1.7080                 1.8224
 Frc consts  --      1.9232                 1.8234                 1.9647
 IR Inten    --      4.5809                18.4799                11.9520
 RamAct Fr= 1--      7.0131                 3.9073                 3.1237
  Dep-P Fr= 1--      0.6545                 0.6877                 0.7497
  Dep-U Fr= 1--      0.7912                 0.8150                 0.8569
 Alpha2 Fr= 1--      0.0120                 0.0043                 0.0000
 Beta2  Fr= 1--      0.9248                 0.5307                 0.4461
 AlphaG Fr= 1--      0.0825                 0.0325                 0.0020
 Gamma2 Fr= 1--      0.5615                 2.3823                 2.5930
 Delta2 Fr= 1--     -0.8124                 2.5461                 1.3615
 Raman1 Fr= 1--      28.053                 15.629                 12.495
 ROA1   Fr= 1--      27.905                310.182                292.498
 CID1   Fr= 1--       0.995                 19.846                 23.410
 Raman2 Fr= 1--      11.097                  6.369                  5.354
 ROA2   Fr= 1--      19.975                 36.807                 51.341
 CID2   Fr= 1--       1.800                  5.779                  9.590
 Raman3 Fr= 1--      22.194                 12.738                 10.707
 ROA3   Fr= 1--      27.905                310.182                292.498
 CID3   Fr= 1--       1.257                 24.352                 27.317
 RC180  Fr= 1--       0.582                  0.630                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01   0.02    -0.03   0.01  -0.01    -0.03   0.01  -0.02
     2   6    -0.01   0.02  -0.05     0.01  -0.03   0.08     0.02  -0.05   0.13
     3   6    -0.04  -0.01   0.03     0.05   0.01  -0.04     0.06   0.01  -0.05
     4   6    -0.00   0.04  -0.06     0.01  -0.01   0.03     0.01  -0.00   0.01
     5   6     0.04  -0.01   0.02    -0.06   0.01  -0.02    -0.08   0.02  -0.03
     6   6    -0.04  -0.01   0.03     0.03   0.01  -0.02     0.03   0.01  -0.03
     7   6     0.01  -0.00   0.01    -0.00   0.01  -0.02     0.01   0.03  -0.04
     8   6     0.01   0.01   0.01    -0.02  -0.03  -0.01    -0.03  -0.07  -0.02
     9   6    -0.00  -0.00  -0.01     0.00   0.01   0.01     0.00   0.01   0.03
    10   6    -0.00  -0.00  -0.01     0.00   0.01   0.01     0.00   0.02   0.01
    11   6    -0.01  -0.16  -0.03    -0.04  -0.04  -0.04    -0.01  -0.02   0.02
    12   6    -0.03   0.07  -0.08     0.03  -0.13   0.11    -0.02   0.12  -0.09
    13   8    -0.01   0.02   0.06    -0.00   0.02  -0.02     0.00  -0.01   0.03
    14   8     0.01  -0.04  -0.01    -0.01   0.05  -0.00     0.01  -0.05   0.00
    15   1    -0.05   0.01  -0.02    -0.12   0.02  -0.05    -0.24   0.05  -0.10
    16   1    -0.01   0.01   0.02    -0.17  -0.04   0.11    -0.31  -0.04   0.21
    17   1    -0.01   0.03   0.01     0.19  -0.03   0.08     0.31  -0.07   0.12
    18   1     0.05   0.01  -0.04     0.08   0.01  -0.06     0.19   0.03  -0.14
    19   1    -0.10  -0.02  -0.02     0.14   0.01   0.01     0.14  -0.05  -0.00
    20   1     0.04   0.00  -0.01    -0.09  -0.01   0.02    -0.14  -0.01   0.02
    21   1    -0.05  -0.09  -0.01     0.09   0.19   0.02     0.18   0.41   0.05
    22   1     0.00   0.00   0.02    -0.01  -0.01  -0.04    -0.01  -0.01  -0.07
    23   1     0.00   0.02  -0.00    -0.02  -0.03   0.01    -0.03  -0.07   0.01
    24   1     0.00  -0.02   0.02    -0.01   0.03  -0.02    -0.01   0.06  -0.04
    25   1     0.01   0.01  -0.00    -0.02  -0.02   0.00    -0.03  -0.06   0.00
    26   1     0.00   0.01   0.02    -0.01  -0.01  -0.03    -0.02  -0.02  -0.05
    27   1    -0.02  -0.00   0.01     0.03  -0.00  -0.01     0.05  -0.01  -0.00
    28   1     0.07   0.70   0.33     0.13   0.64   0.27     0.15  -0.24  -0.04
    29   6     0.01   0.07  -0.03     0.01   0.02  -0.04     0.01   0.02   0.02
    30   1     0.02  -0.08   0.41    -0.02   0.09  -0.44     0.01  -0.08   0.40
    31   1    -0.01  -0.19  -0.13    -0.04   0.00  -0.05    -0.04  -0.09  -0.03
    32   1     0.04  -0.14   0.13     0.05   0.03   0.12    -0.02  -0.07  -0.08
    33   1     0.01   0.07   0.12     0.02   0.03   0.15    -0.05  -0.01  -0.09
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1369.4754              1372.5348              1376.9173
 Red. masses --      1.6280                 1.4804                 1.2994
 Frc consts  --      1.7989                 1.6432                 1.4514
 IR Inten    --      3.3975                 1.0416                 1.3827
 RamAct Fr= 1--     10.0636                 1.8389                12.4624
  Dep-P Fr= 1--      0.4945                 0.1999                 0.4713
  Dep-U Fr= 1--      0.6617                 0.3332                 0.6407
 Alpha2 Fr= 1--      0.0510                 0.0250                 0.0699
 Beta2  Fr= 1--      1.1099                 0.1021                 1.3308
 AlphaG Fr= 1--      0.0584                 0.0892                 0.1048
 Gamma2 Fr= 1--      1.6151                 0.0941                 1.9414
 Delta2 Fr= 1--     -1.4814                -0.0381                -0.0897
 Raman1 Fr= 1--      40.255                  7.356                 49.850
 ROA1   Fr= 1--     107.646                  7.812                183.503
 CID1   Fr= 1--       2.674                  1.062                  3.681
 Raman2 Fr= 1--      13.319                  1.226                 15.969
 ROA2   Fr= 1--      50.614                  2.563                 47.311
 CID2   Fr= 1--       3.800                  2.091                  2.963
 Raman3 Fr= 1--      26.638                  2.451                 31.939
 ROA3   Fr= 1--     107.646                  7.812                183.503
 CID3   Fr= 1--       4.041                  3.187                  5.745
 RC180  Fr= 1--       0.323                 -0.334                  0.281
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.01  -0.02    -0.03   0.01  -0.01    -0.05   0.01  -0.02
     2   6     0.03  -0.00   0.03    -0.02  -0.01   0.01    -0.01   0.01  -0.04
     3   6     0.05   0.00  -0.03     0.02   0.00  -0.01    -0.00  -0.00   0.01
     4   6     0.02  -0.02   0.06     0.00  -0.01   0.02     0.02  -0.02   0.06
     5   6    -0.06   0.01  -0.00    -0.02   0.00  -0.01     0.01  -0.01   0.01
     6   6     0.08   0.01  -0.05     0.02   0.00  -0.01     0.04   0.01  -0.03
     7   6    -0.08  -0.05   0.01     0.08   0.01   0.02     0.04   0.03  -0.00
     8   6     0.08   0.07   0.00    -0.12   0.11  -0.03    -0.03  -0.08   0.01
     9   6    -0.02  -0.02  -0.01     0.03   0.00  -0.04     0.01   0.01   0.02
    10   6    -0.01  -0.01  -0.01     0.01  -0.03   0.04     0.01   0.02   0.00
    11   6    -0.07  -0.01  -0.01    -0.02  -0.00  -0.00    -0.06  -0.00  -0.01
    12   6     0.00   0.04  -0.03     0.00   0.01  -0.01     0.00   0.02  -0.01
    13   8    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.17  -0.03   0.09     0.06  -0.02   0.02     0.29  -0.07   0.12
    16   1    -0.01  -0.00   0.02     0.01  -0.00   0.00     0.22   0.03  -0.14
    17   1    -0.07   0.01  -0.00     0.02  -0.00   0.01    -0.26   0.06  -0.09
    18   1    -0.19  -0.02   0.15    -0.03  -0.02   0.02    -0.28  -0.05   0.18
    19   1     0.31   0.31   0.11    -0.13  -0.08  -0.03    -0.27  -0.24  -0.09
    20   1     0.06   0.04   0.07    -0.37  -0.24  -0.14     0.09   0.04  -0.03
    21   1    -0.35  -0.41  -0.13     0.52  -0.50   0.13     0.17   0.44   0.08
    22   1     0.00   0.06   0.04     0.02  -0.18   0.13    -0.01   0.01  -0.06
    23   1     0.08   0.08   0.02    -0.05  -0.06  -0.06    -0.05  -0.04   0.00
    24   1     0.04  -0.04  -0.03    -0.02  -0.11   0.17    -0.03   0.06  -0.02
    25   1     0.05   0.07   0.01    -0.02   0.09   0.03    -0.04  -0.08  -0.01
    26   1     0.01   0.03   0.05     0.14  -0.02  -0.05    -0.03  -0.02  -0.03
    27   1    -0.04   0.01  -0.02     0.06   0.05  -0.12     0.01  -0.02   0.05
    28   1     0.49  -0.04   0.10     0.13  -0.01   0.02     0.43  -0.02   0.09
    29   6     0.02   0.02  -0.01     0.01   0.00  -0.00     0.01   0.01  -0.02
    30   1     0.00  -0.02   0.10     0.00  -0.00   0.02     0.00  -0.01   0.03
    31   1    -0.07  -0.04  -0.05    -0.02  -0.01  -0.01    -0.04   0.01  -0.02
    32   1     0.02  -0.02   0.02     0.01  -0.00   0.00     0.03   0.00   0.06
    33   1    -0.06  -0.01   0.03    -0.01  -0.00   0.01    -0.03  -0.00   0.07
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.5653              1417.9376              1423.1953
 Red. masses --      1.2572                 1.2303                 1.2351
 Frc consts  --      1.4592                 1.4574                 1.4739
 IR Inten    --      5.4133                 3.6217                 6.4352
 RamAct Fr= 1--      0.1644                 1.2574                 0.9268
  Dep-P Fr= 1--      0.4308                 0.6013                 0.5526
  Dep-U Fr= 1--      0.6021                 0.7510                 0.7119
 Alpha2 Fr= 1--      0.0011                 0.0035                 0.0035
 Beta2  Fr= 1--      0.0165                 0.1574                 0.1100
 AlphaG Fr= 1--      0.0036                -0.0055                 0.0039
 Gamma2 Fr= 1--     -0.0804                -0.0907                 0.1151
 Delta2 Fr= 1--     -0.0192                 0.0280                -0.1067
 Raman1 Fr= 1--       0.657                  5.030                  3.707
 ROA1   Fr= 1--      -8.334                 -7.808                  7.633
 CID1   Fr= 1--     -12.676                 -1.552                  2.059
 Raman2 Fr= 1--       0.198                  1.889                  1.320
 ROA2   Fr= 1--      -1.776                 -2.401                  3.615
 CID2   Fr= 1--      -8.973                 -1.271                  2.740
 Raman3 Fr= 1--       0.396                  3.777                  2.639
 ROA3   Fr= 1--      -8.334                 -7.808                  7.633
 CID3   Fr= 1--     -21.052                 -2.067                  2.892
 RC180  Fr= 1--       0.204                  0.502                  0.424
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.01   0.01    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   6     0.03  -0.03   0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   6    -0.03   0.08  -0.03     0.00  -0.00   0.00     0.03  -0.09   0.04
    10   6    -0.11   0.02  -0.00    -0.00  -0.00   0.00    -0.09   0.00   0.01
    11   6    -0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00   0.00  -0.00
    12   6     0.00  -0.00   0.00    -0.01   0.03  -0.03     0.00  -0.00   0.00
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00    -0.04   0.01  -0.01    -0.00  -0.00  -0.00
    16   1     0.01   0.00  -0.01    -0.05  -0.01   0.02     0.01   0.00  -0.01
    17   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.01   0.01  -0.02     0.00  -0.00  -0.00
    19   1     0.01  -0.01   0.00     0.03   0.02   0.00    -0.07   0.00  -0.02
    20   1     0.06   0.04   0.01    -0.02  -0.00   0.01    -0.09  -0.04   0.00
    21   1    -0.07   0.08  -0.01    -0.00  -0.01  -0.00     0.02  -0.01  -0.00
    22   1    -0.06  -0.33   0.16     0.00   0.01  -0.00     0.06   0.36  -0.18
    23   1     0.17  -0.34   0.00    -0.00   0.01   0.00    -0.15   0.40   0.02
    24   1     0.20  -0.23   0.20    -0.00   0.00  -0.01    -0.19   0.26  -0.27
    25   1     0.41  -0.09   0.15     0.00   0.00   0.00     0.36  -0.02   0.14
    26   1     0.39   0.12  -0.10    -0.00  -0.00  -0.00     0.35   0.09  -0.09
    27   1     0.36  -0.21  -0.09     0.00   0.00  -0.00     0.32  -0.15  -0.14
    28   1     0.01   0.00   0.00     0.03  -0.05  -0.01     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.07  -0.09     0.00   0.00   0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.02   0.08     0.00   0.00  -0.00
    31   1     0.00   0.01   0.00     0.33   0.43   0.18    -0.00  -0.01  -0.00
    32   1     0.00   0.00   0.01     0.06   0.35   0.43    -0.00  -0.00  -0.00
    33   1     0.00   0.00   0.01     0.37   0.10   0.43    -0.00  -0.00  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.2610              1485.6214              1490.3292
 Red. masses --      2.4503                 1.0755                 1.0468
 Frc consts  --      3.0785                 1.3985                 1.3698
 IR Inten    --      5.9070                 0.4703                 1.8476
 RamAct Fr= 1--      0.5415                 1.5390                12.9178
  Dep-P Fr= 1--      0.4093                 0.6589                 0.7292
  Dep-U Fr= 1--      0.5808                 0.7944                 0.8434
 Alpha2 Fr= 1--      0.0039                 0.0025                 0.0046
 Beta2  Fr= 1--      0.0524                 0.2038                 1.8158
 AlphaG Fr= 1--      0.0208                 0.0282                -0.0092
 Gamma2 Fr= 1--     -2.7726                 1.3256                 2.6697
 Delta2 Fr= 1--      1.2462                -0.2542                -0.6904
 Raman1 Fr= 1--       2.166                  6.156                 51.671
 ROA1   Fr= 1--    -226.291                119.126                234.192
 CID1   Fr= 1--    -104.466                 19.352                  4.532
 Raman2 Fr= 1--       0.629                  2.445                 21.790
 ROA2   Fr= 1--     -76.511                 33.849                 69.595
 CID2   Fr= 1--    -121.621                 13.843                  3.194
 Raman3 Fr= 1--       1.258                  4.890                 43.580
 ROA3   Fr= 1--    -226.291                119.126                234.192
 CID3   Fr= 1--    -179.853                 24.360                  5.374
 RC180  Fr= 1--       0.162                  0.589                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.01  -0.05     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14     0.01   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.14   0.02  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.14   0.00  -0.04    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.14   0.02  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.04    -0.05   0.03   0.02     0.02  -0.01  -0.01
     8   6     0.00   0.01  -0.00     0.02  -0.01  -0.00    -0.01   0.00  -0.00
     9   6    -0.00   0.00   0.00     0.03   0.01   0.00    -0.00   0.01   0.03
    10   6     0.00  -0.01   0.00    -0.01  -0.03  -0.01    -0.00  -0.01  -0.04
    11   6    -0.04   0.02  -0.04    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    15   1    -0.28   0.10  -0.22    -0.02   0.00  -0.01     0.01   0.00   0.01
    16   1     0.25   0.09  -0.30     0.00   0.00  -0.01    -0.00  -0.00   0.01
    17   1    -0.32   0.11  -0.24    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.21   0.08  -0.28    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   1     0.20   0.13   0.02     0.25  -0.37   0.08    -0.11   0.17  -0.03
    20   1    -0.19  -0.02   0.09     0.20  -0.06  -0.39    -0.09   0.03   0.18
    21   1    -0.01  -0.03  -0.01    -0.03  -0.01  -0.01     0.06  -0.02   0.01
    22   1    -0.01  -0.03  -0.03     0.02   0.13  -0.21    -0.07  -0.26  -0.35
    23   1    -0.02   0.01  -0.00    -0.32  -0.16  -0.09    -0.17   0.18  -0.01
    24   1     0.03  -0.02  -0.00    -0.11  -0.07   0.24     0.33  -0.11  -0.12
    25   1     0.02   0.04   0.01     0.02   0.40   0.01    -0.24   0.17  -0.09
    26   1    -0.04  -0.02  -0.00    -0.10   0.08   0.28     0.12   0.24   0.42
    27   1    -0.01   0.03  -0.05     0.19  -0.04  -0.17     0.16  -0.29   0.25
    28   1     0.39  -0.04   0.03     0.01  -0.00   0.00    -0.01   0.00  -0.00
    29   6     0.01   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    31   1    -0.06  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00  -0.04  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    33   1    -0.06  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1495.7550              1497.7360              1501.8444
 Red. masses --      1.0458                 1.0766                 1.0532
 Frc consts  --      1.3785                 1.4228                 1.3996
 IR Inten    --      5.5473                 3.0687                11.4593
 RamAct Fr= 1--      6.7413                 3.5771                 6.4484
  Dep-P Fr= 1--      0.6364                 0.7405                 0.6652
  Dep-U Fr= 1--      0.7778                 0.8509                 0.7989
 Alpha2 Fr= 1--      0.0139                 0.0006                 0.0097
 Beta2  Fr= 1--      0.8739                 0.5073                 0.8586
 AlphaG Fr= 1--      0.0391                 0.0026                 0.0767
 Gamma2 Fr= 1--     -0.2187                 0.0919                 1.9137
 Delta2 Fr= 1--     -1.1952                -1.0380                 1.7811
 Raman1 Fr= 1--      26.965                 14.308                 25.794
 ROA1   Fr= 1--     -59.243                -24.391                240.710
 CID1   Fr= 1--      -2.197                 -1.705                  9.332
 Raman2 Fr= 1--      10.486                  6.087                 10.303
 ROA2   Fr= 1--       4.312                 10.510                 31.679
 CID2   Fr= 1--       0.411                  1.726                  3.075
 Raman3 Fr= 1--      20.973                 12.175                 20.607
 ROA3   Fr= 1--     -59.243                -24.391                240.710
 CID3   Fr= 1--      -2.825                 -2.003                 11.681
 RC180  Fr= 1--       0.556                  0.702                  0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     3   6     0.01   0.00  -0.01     0.01  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.00  -0.00
     5   6     0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00     0.04  -0.03  -0.03    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00     0.02  -0.02   0.01    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.02   0.02  -0.00    -0.00   0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.01  -0.02   0.01     0.00  -0.00   0.00
    11   6    -0.02  -0.00   0.01     0.00  -0.00   0.00    -0.02   0.03  -0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    13   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.02   0.00  -0.01     0.03  -0.00   0.02    -0.00   0.00  -0.00
    16   1    -0.01  -0.00   0.00    -0.01  -0.01   0.01    -0.01  -0.02   0.00
    17   1    -0.03   0.01  -0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.00
    18   1    -0.02  -0.00   0.01    -0.01  -0.00   0.01    -0.00   0.00  -0.00
    19   1    -0.01   0.01  -0.00    -0.25   0.38  -0.08     0.01  -0.00   0.00
    20   1    -0.00   0.00   0.02    -0.15   0.10   0.43    -0.00  -0.00  -0.00
    21   1    -0.00   0.00  -0.00    -0.05   0.07  -0.01     0.00   0.00   0.00
    22   1     0.00   0.01  -0.00     0.01   0.13  -0.18    -0.00  -0.01   0.00
    23   1    -0.01  -0.01  -0.00    -0.31  -0.22  -0.09     0.01   0.01   0.00
    24   1    -0.01  -0.00   0.01    -0.12  -0.09   0.29     0.01   0.00  -0.01
    25   1     0.01   0.01   0.00     0.16   0.24   0.06     0.00   0.01   0.00
    26   1    -0.01  -0.00  -0.00    -0.19  -0.09  -0.02    -0.01  -0.00   0.00
    27   1     0.00   0.01  -0.01     0.04   0.16  -0.30     0.00   0.00  -0.01
    28   1     0.07   0.02   0.04    -0.02   0.00  -0.00     0.01  -0.05  -0.03
    29   6    -0.04  -0.01   0.03     0.00   0.00  -0.00    -0.03   0.04  -0.02
    30   1    -0.00   0.00  -0.02     0.00  -0.00   0.00    -0.00   0.00  -0.02
    31   1     0.06  -0.46  -0.13     0.01   0.02   0.01     0.62  -0.21   0.02
    32   1     0.01   0.50   0.06     0.00  -0.02   0.01     0.06  -0.34   0.53
    33   1     0.51   0.13  -0.47    -0.02  -0.01   0.01    -0.25  -0.07  -0.30
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.4219              1511.4163              1551.5079
 Red. masses --      1.0527                 1.0509                 2.4430
 Frc consts  --      1.4038                 1.4144                 3.4648
 IR Inten    --      4.7457                12.3174                27.6026
 RamAct Fr= 1--      9.6374                 1.0155                 0.1874
  Dep-P Fr= 1--      0.7270                 0.5417                 0.7248
  Dep-U Fr= 1--      0.8419                 0.7027                 0.8404
 Alpha2 Fr= 1--      0.0038                 0.0041                 0.0001
 Beta2  Fr= 1--      1.3523                 0.1189                 0.0263
 AlphaG Fr= 1--      0.0190                -0.0016                 0.0011
 Gamma2 Fr= 1--     -0.6337                -1.5402                 0.1015
 Delta2 Fr= 1--      0.2567                -0.3436                 0.3106
 Raman1 Fr= 1--      38.550                  4.062                  0.750
 ROA1   Fr= 1--     -52.621               -158.850                 19.682
 CID1   Fr= 1--      -1.365                -39.105                 26.251
 Raman2 Fr= 1--      16.228                  1.427                  0.315
 ROA2   Fr= 1--     -17.263                -34.215                 -0.049
 CID2   Fr= 1--      -1.064                -23.973                 -0.156
 Raman3 Fr= 1--      32.455                  2.855                  0.630
 ROA3   Fr= 1--     -52.621               -158.850                 19.682
 CID3   Fr= 1--      -1.621                -55.648                 31.235
 RC180  Fr= 1--       0.684                  0.405                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.16  -0.01  -0.01
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.11   0.04  -0.09
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08  -0.03   0.11
     7   6    -0.00  -0.01  -0.00     0.02  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.02   0.03  -0.01    -0.01  -0.03  -0.03    -0.00  -0.00  -0.00
     9   6     0.03  -0.00  -0.01    -0.01  -0.01  -0.03     0.00   0.00  -0.00
    10   6    -0.01   0.03  -0.02    -0.00  -0.02  -0.02     0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.00   0.01
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.01   0.00  -0.00    -0.01  -0.00  -0.01     0.43  -0.07   0.11
    16   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.42   0.05  -0.23
    17   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.44  -0.08   0.12
    18   1     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.40   0.04  -0.21
    19   1     0.03   0.05   0.00    -0.06   0.12  -0.02    -0.04   0.02   0.00
    20   1    -0.03  -0.01   0.01    -0.07   0.02   0.12    -0.04   0.01   0.02
    21   1    -0.02  -0.04  -0.03     0.04   0.08  -0.02     0.01   0.00   0.00
    22   1     0.05   0.28  -0.08     0.07   0.22   0.49     0.00   0.01   0.01
    23   1    -0.28  -0.28  -0.09     0.35  -0.16   0.06     0.00  -0.01  -0.00
    24   1    -0.28  -0.04   0.34    -0.33   0.18   0.00    -0.02   0.01   0.00
    25   1    -0.19  -0.41  -0.07    -0.15   0.29  -0.06    -0.01   0.01  -0.00
    26   1     0.30   0.10  -0.05     0.01   0.17   0.38    -0.00   0.01   0.01
    27   1    -0.11  -0.20   0.42     0.20  -0.18   0.05     0.02  -0.01  -0.00
    28   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.00   0.01
    29   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.02  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.04  -0.01
    32   1     0.00  -0.01   0.02    -0.00  -0.00  -0.00     0.00   0.06   0.02
    33   1    -0.01  -0.00  -0.01    -0.00  -0.00   0.00     0.06   0.01  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.6623              1658.0434              1809.3719
 Red. masses --      5.9639                 5.8250                 9.5562
 Frc consts  --      9.1951                 9.4350                18.4328
 IR Inten    --      0.1271                 1.8041               330.5545
 RamAct Fr= 1--      1.7786               123.1608                15.2978
  Dep-P Fr= 1--      0.6448                 0.4867                 0.2026
  Dep-U Fr= 1--      0.7840                 0.6547                 0.3370
 Alpha2 Fr= 1--      0.0034                 0.6464                 0.2063
 Beta2  Fr= 1--      0.2324                13.4392                 0.8592
 AlphaG Fr= 1--     -0.0564                 0.4543                -0.0735
 Gamma2 Fr= 1--     -0.0016                 4.2345                 0.9374
 Delta2 Fr= 1--     -0.0780                 0.0179                -2.4821
 Raman1 Fr= 1--       7.114                492.643                 61.191
 ROA1   Fr= 1--      -2.646                407.087                 10.559
 CID1   Fr= 1--      -0.372                  0.826                  0.173
 Raman2 Fr= 1--       2.789                161.270                 10.310
 ROA2   Fr= 1--       0.587                101.486                 42.353
 CID2   Fr= 1--       0.210                  0.629                  4.108
 Raman3 Fr= 1--       5.578                322.540                 20.620
 ROA3   Fr= 1--      -2.646                407.087                 10.559
 CID3   Fr= 1--      -0.474                  1.262                  0.512
 RC180  Fr= 1--       0.568                  0.309                 -0.326
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.07  -0.18     0.30  -0.04   0.04     0.01  -0.00  -0.00
     2   6     0.03  -0.11   0.32    -0.21   0.01   0.02    -0.00   0.00   0.00
     3   6    -0.08  -0.07   0.21    -0.27  -0.01   0.10    -0.01  -0.00   0.01
     4   6    -0.03   0.11  -0.32     0.19  -0.01  -0.02     0.03  -0.00  -0.01
     5   6     0.11  -0.07   0.18    -0.29   0.04  -0.04    -0.01   0.00  -0.00
     6   6     0.08   0.06  -0.20     0.28   0.01  -0.11     0.01  -0.00  -0.00
     7   6    -0.01   0.01  -0.04     0.03  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.01  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.02  -0.01   0.04    -0.02  -0.00   0.01     0.01  -0.06  -0.04
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.02    -0.14   0.41   0.55
    13   8    -0.00   0.00   0.00    -0.00   0.01   0.01     0.08  -0.24  -0.37
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.03  -0.05
    15   1     0.31  -0.02  -0.03    -0.31   0.09  -0.20    -0.00   0.00  -0.01
    16   1     0.32  -0.00  -0.05     0.26   0.07  -0.27     0.03   0.00  -0.02
    17   1    -0.29   0.01   0.03     0.29  -0.09   0.19     0.02   0.01   0.01
    18   1    -0.30   0.01   0.04    -0.26  -0.07   0.27    -0.01  -0.00   0.01
    19   1     0.24   0.01   0.03     0.01   0.01  -0.01    -0.00   0.00  -0.00
    20   1    -0.16  -0.04  -0.00     0.03   0.01   0.01    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00   0.00   0.00
    22   1     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.00   0.00
    23   1     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1    -0.01   0.00   0.01     0.01  -0.01   0.01    -0.00   0.00   0.00
    25   1    -0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.02   0.01   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1    -0.00  -0.01   0.02    -0.01   0.00   0.00    -0.00   0.00   0.00
    28   1    -0.28   0.04  -0.01    -0.01  -0.00   0.00    -0.09   0.22   0.09
    29   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    30   1    -0.00   0.00  -0.01     0.00   0.00  -0.01     0.01  -0.09   0.47
    31   1    -0.03  -0.02  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    32   1     0.00   0.03  -0.01    -0.00   0.02   0.01     0.01   0.02   0.02
    33   1     0.02   0.00  -0.01     0.02   0.01   0.00     0.03  -0.01   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.8735              3018.5192              3020.4147
 Red. masses --      1.0811                 1.0505                 1.0403
 Frc consts  --      5.7474                 5.6392                 5.5918
 IR Inten    --      3.0921                 8.9936                41.7016
 RamAct Fr= 1--    147.2265                16.0088                27.7648
  Dep-P Fr= 1--      0.2038                 0.6204                 0.2712
  Dep-U Fr= 1--      0.3386                 0.7657                 0.4266
 Alpha2 Fr= 1--      1.9792                 0.0379                 0.3099
 Beta2  Fr= 1--      8.3087                 2.0431                 1.9742
 AlphaG Fr= 1--      1.1398                 0.0883                -0.1971
 Gamma2 Fr= 1--     12.1764                -4.8851                 0.5033
 Delta2 Fr= 1--      6.7077                -3.0090                -3.6054
 Raman1 Fr= 1--     588.906                 64.035                111.059
 ROA1   Fr= 1--    1383.587               -565.252                -67.061
 CID1   Fr= 1--       2.349                 -8.827                 -0.604
 Raman2 Fr= 1--      99.705                 24.517                 23.690
 ROA2   Fr= 1--     238.573                -93.170                 40.922
 CID2   Fr= 1--       2.393                 -3.800                  1.727
 Raman3 Fr= 1--     199.410                 49.034                 47.381
 ROA3   Fr= 1--    1383.587               -565.252                -67.061
 CID3   Fr= 1--       6.938                -11.528                 -1.415
 RC180  Fr= 1--      -0.323                  0.531                 -0.147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.01   0.00   0.02     0.03  -0.04  -0.03    -0.01   0.02   0.01
     8   6     0.02   0.00  -0.07     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.03  -0.03
    10   6    -0.00  -0.00   0.01    -0.03   0.01   0.01    -0.03   0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00   0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.06   0.01  -0.24    -0.12  -0.02   0.52     0.06   0.01  -0.26
    20   1     0.00  -0.02   0.01    -0.20   0.48  -0.22     0.09  -0.22   0.10
    21   1    -0.24  -0.02   0.90    -0.03  -0.00   0.10    -0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00    -0.03   0.01   0.00     0.28  -0.03  -0.03
    23   1     0.04   0.01  -0.18     0.02   0.00  -0.08    -0.13  -0.02   0.53
    24   1    -0.01  -0.00   0.00     0.01   0.02   0.02    -0.17  -0.26  -0.18
    25   1     0.04   0.00  -0.12     0.12   0.01  -0.41     0.11   0.01  -0.39
    26   1    -0.01   0.04  -0.01     0.08  -0.28   0.13     0.08  -0.27   0.13
    27   1    -0.02  -0.03  -0.01     0.13   0.21   0.14     0.14   0.22   0.15
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    32   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9051              3045.4339              3056.3392
 Red. masses --      1.0439                 1.0362                 1.1034
 Frc consts  --      5.6353                 5.6622                 6.0727
 IR Inten    --     48.7072                27.6740                15.4980
 RamAct Fr= 1--    420.4926               237.1019                32.1825
  Dep-P Fr= 1--      0.0082                 0.0622                 0.7180
  Dep-U Fr= 1--      0.0162                 0.1170                 0.8358
 Alpha2 Fr= 1--      9.1672                 4.5496                 0.0178
 Beta2  Fr= 1--      1.1386                 4.6246                 4.4832
 AlphaG Fr= 1--     -0.9218                -0.7055                -0.1770
 Gamma2 Fr= 1--     -1.5874                 0.2124                -1.4108
 Delta2 Fr= 1--     -0.1502                 2.8635                 1.6827
 Raman1 Fr= 1--    1681.970                948.408                128.730
 ROA1   Fr= 1--    -157.198                112.027                -81.593
 CID1   Fr= 1--      -0.093                  0.118                 -0.634
 Raman2 Fr= 1--      13.663                 55.495                 53.798
 ROA2   Fr= 1--     -36.896                -17.809                -47.322
 CID2   Fr= 1--      -2.700                 -0.321                 -0.880
 Raman3 Fr= 1--      27.326                110.989                107.596
 ROA3   Fr= 1--    -157.198                112.027                -81.593
 CID3   Fr= 1--      -5.753                  1.009                 -0.758
 RC180  Fr= 1--      -0.968                 -0.766                  0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.03  -0.01     0.00  -0.00   0.00    -0.01   0.05  -0.08
     8   6     0.00  -0.00  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.01
     9   6    -0.00   0.03  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    10   6     0.03  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1    -0.06  -0.01   0.27    -0.00  -0.00   0.00    -0.16  -0.01   0.67
    20   1    -0.13   0.31  -0.14    -0.00   0.00  -0.00     0.24  -0.58   0.25
    21   1    -0.05  -0.00   0.19    -0.00  -0.00   0.00    -0.03  -0.00   0.13
    22   1     0.29  -0.04  -0.03     0.00  -0.00  -0.00     0.05  -0.00  -0.00
    23   1    -0.12  -0.02   0.49    -0.00  -0.00   0.00     0.01   0.00  -0.04
    24   1    -0.17  -0.26  -0.18    -0.00  -0.00  -0.00    -0.04  -0.06  -0.04
    25   1    -0.10  -0.01   0.32    -0.00  -0.00   0.00     0.03  -0.00  -0.10
    26   1    -0.08   0.27  -0.12    -0.00   0.00  -0.00    -0.03   0.11  -0.05
    27   1    -0.13  -0.21  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.08  -0.15   0.40    -0.00  -0.00   0.00
    32   1    -0.00   0.00   0.00     0.68  -0.04  -0.13     0.00  -0.00  -0.00
    33   1     0.00  -0.00   0.00    -0.18   0.55  -0.04    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3077.9171              3084.2591              3084.3764
 Red. masses --      1.0993                 1.0860                 1.0983
 Frc consts  --      6.1361                 6.0868                 6.1562
 IR Inten    --     11.1039                 0.8001                58.2038
 RamAct Fr= 1--     25.7141                69.3466               113.0160
  Dep-P Fr= 1--      0.7427                 0.4601                 0.3107
  Dep-U Fr= 1--      0.8523                 0.6303                 0.4741
 Alpha2 Fr= 1--      0.0032                 0.4079                 1.1224
 Beta2  Fr= 1--      3.6529                 7.2845                 8.9299
 AlphaG Fr= 1--     -0.0175                 0.4427                -1.7087
 Gamma2 Fr= 1--    -10.4933               -33.1119                36.2028
 Delta2 Fr= 1--      4.2011               -26.7347                 9.4908
 Raman1 Fr= 1--     102.856                277.386                452.064
 ROA1   Fr= 1--    -872.926              -4034.254               3779.177
 CID1   Fr= 1--      -8.487                -14.544                  8.360
 Raman2 Fr= 1--      43.834                 87.414                107.159
 ROA2   Fr= 1--    -285.448               -580.808                792.941
 CID2   Fr= 1--      -6.512                 -6.644                  7.400
 Raman3 Fr= 1--      87.669                174.828                214.318
 ROA3   Fr= 1--    -872.926              -4034.254               3779.177
 CID3   Fr= 1--      -9.957                -23.076                 17.633
 RC180  Fr= 1--       0.705                  0.261                 -0.052
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.02
     9   6    -0.00   0.03   0.05    -0.00   0.01   0.01     0.00  -0.03  -0.05
    10   6    -0.01   0.01  -0.07     0.00  -0.01   0.01    -0.00   0.03  -0.05
    11   6     0.00   0.00  -0.00     0.02   0.03  -0.07     0.00   0.01  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.01   0.01  -0.03     0.00   0.00  -0.01
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
    19   1    -0.01  -0.00   0.04     0.01  -0.00  -0.03    -0.02   0.00   0.11
    20   1     0.01  -0.03   0.01    -0.01   0.02  -0.01     0.03  -0.08   0.03
    21   1    -0.01   0.00   0.04     0.01   0.00  -0.05    -0.05  -0.01   0.19
    22   1     0.17  -0.02  -0.00     0.04  -0.00  -0.00    -0.16   0.02   0.00
    23   1     0.09   0.03  -0.36     0.03   0.01  -0.11    -0.10  -0.03   0.42
    24   1    -0.23  -0.36  -0.23    -0.07  -0.10  -0.06     0.25   0.39   0.24
    25   1    -0.17  -0.01   0.53     0.03  -0.00  -0.10    -0.12   0.00   0.39
    26   1     0.10  -0.34   0.14    -0.03   0.10  -0.05     0.13  -0.41   0.18
    27   1     0.17   0.27   0.16    -0.01  -0.02  -0.01     0.03   0.05   0.02
    28   1    -0.00  -0.00   0.00    -0.18  -0.34   0.86    -0.05  -0.09   0.22
    29   6     0.00  -0.00  -0.00    -0.01  -0.01   0.02    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00     0.04   0.07  -0.18     0.01   0.02  -0.05
    32   1    -0.00   0.00   0.00     0.07  -0.01  -0.01     0.02  -0.00  -0.00
    33   1    -0.00   0.00  -0.00    -0.01   0.03   0.00    -0.00   0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.1181              3104.1100              3106.9954
 Red. masses --      1.1013                 1.1002                 1.1021
 Frc consts  --      6.1961                 6.2461                 6.2684
 IR Inten    --     42.3266                33.0066                25.3044
 RamAct Fr= 1--    132.9821                58.1934               109.2001
  Dep-P Fr= 1--      0.6551                 0.7149                 0.7124
  Dep-U Fr= 1--      0.7916                 0.8337                 0.8320
 Alpha2 Fr= 1--      0.2259                 0.0353                 0.0711
 Beta2  Fr= 1--     17.5450                 8.0862                15.1428
 AlphaG Fr= 1--     -0.2245                -0.1180                 0.1206
 Gamma2 Fr= 1--      3.5932                -9.0708                -2.1630
 Delta2 Fr= 1--      8.7224                -0.1623                -4.3719
 Raman1 Fr= 1--     531.929                232.774                436.801
 ROA1   Fr= 1--     624.070               -875.994               -347.546
 CID1   Fr= 1--       1.173                 -3.763                 -0.796
 Raman2 Fr= 1--     210.541                 97.034                181.713
 ROA2   Fr= 1--      16.458               -216.401                -16.936
 CID2   Fr= 1--       0.078                 -2.230                 -0.093
 Raman3 Fr= 1--     421.081                194.068                363.427
 ROA3   Fr= 1--     624.070               -875.994               -347.546
 CID3   Fr= 1--       1.482                 -4.514                 -0.956
 RC180  Fr= 1--       0.583                  0.667                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.00  -0.01  -0.02    -0.09  -0.02   0.00    -0.00  -0.00  -0.00
    10   6    -0.01  -0.09  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.00   0.00   0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
    20   1    -0.01   0.02  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1    -0.01  -0.00   0.05     0.01   0.00  -0.03     0.00   0.00  -0.00
    22   1    -0.09   0.01   0.01     0.86  -0.12  -0.08     0.01  -0.00  -0.00
    23   1    -0.03  -0.01   0.13     0.02   0.00  -0.17     0.00   0.00  -0.00
    24   1     0.07   0.11   0.07     0.19   0.33   0.22     0.00   0.01   0.00
    25   1    -0.04  -0.02   0.12     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.16   0.48  -0.24    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    27   1     0.37   0.57   0.38     0.02   0.02   0.02     0.00   0.00   0.00
    28   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.06
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.07  -0.05  -0.02
    30   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.06   0.14
    32   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.67   0.02   0.12
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.20   0.68  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3131.0762              3158.5428              3165.3189
 Red. masses --      1.1003                 1.0868                 1.0882
 Frc consts  --      6.3558                 6.3883                 6.4236
 IR Inten    --     15.0210                11.3620                12.9730
 RamAct Fr= 1--     29.5192                57.7300                60.6721
  Dep-P Fr= 1--      0.6375                 0.6583                 0.4816
  Dep-U Fr= 1--      0.7786                 0.7939                 0.6501
 Alpha2 Fr= 1--      0.0601                 0.0946                 0.3256
 Beta2  Fr= 1--      3.8307                 7.6390                 6.5741
 AlphaG Fr= 1--     -0.0023                 0.1384                -0.2032
 Gamma2 Fr= 1--     -1.3513                 0.0382                -1.2065
 Delta2 Fr= 1--      0.8038                 0.1737                 0.8208
 Raman1 Fr= 1--     118.077                230.920                242.689
 ROA1   Fr= 1--    -104.004                  9.225                -89.560
 CID1   Fr= 1--      -0.881                  0.040                 -0.369
 Raman2 Fr= 1--      45.968                 91.668                 78.890
 ROA2   Fr= 1--     -38.861                 -0.473                -35.523
 CID2   Fr= 1--      -0.845                 -0.005                 -0.450
 Raman3 Fr= 1--      91.936                183.336                157.779
 ROA3   Fr= 1--    -104.004                  9.225                -89.560
 CID3   Fr= 1--      -1.131                  0.050                 -0.568
 RC180  Fr= 1--       0.557                  0.588                  0.300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.03   0.02  -0.07
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.02
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.02  -0.01   0.04     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.01  -0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.00   0.01     0.00   0.00  -0.01    -0.38  -0.25   0.83
    16   1    -0.03   0.01  -0.04     0.01  -0.01   0.02    -0.17   0.10  -0.23
    17   1     0.01   0.01  -0.02     0.22   0.14  -0.48    -0.02  -0.01   0.04
    18   1     0.00  -0.00   0.01     0.47  -0.26   0.63     0.03  -0.02   0.04
    19   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.02
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    24   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.04  -0.07   0.19     0.01   0.01  -0.02     0.00   0.00  -0.00
    29   6     0.02   0.05  -0.07    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.15  -0.29   0.80     0.00   0.00  -0.01     0.00   0.01  -0.02
    32   1    -0.20   0.02   0.02     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    33   1     0.13  -0.38   0.01    -0.00   0.00   0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3176.9931              3193.5886              3727.7420
 Red. masses --      1.0936                 1.0922                 1.0641
 Frc consts  --      6.5033                 6.5629                 8.7118
 IR Inten    --     13.4159                 5.7781                67.2085
 RamAct Fr= 1--    136.2280               111.3588               112.0169
  Dep-P Fr= 1--      0.1529                 0.1505                 0.2356
  Dep-U Fr= 1--      0.2653                 0.2616                 0.3814
 Alpha2 Fr= 1--      2.0903                 1.7195                 1.3816
 Beta2  Fr= 1--      6.0237                 4.8546                 7.1205
 AlphaG Fr= 1--     -0.1805                 0.0445                 0.0393
 Gamma2 Fr= 1--      0.0926                 1.7756                 3.6537
 Delta2 Fr= 1--     -0.2789                -0.0164                -0.6436
 Raman1 Fr= 1--     544.912                445.435                448.068
 ROA1   Fr= 1--      -0.034                169.928                330.162
 CID1   Fr= 1--      -0.000                  0.381                  0.737
 Raman2 Fr= 1--      72.284                 58.255                 85.446
 ROA2   Fr= 1--       4.454                 42.744                 92.838
 CID2   Fr= 1--       0.062                  0.734                  1.087
 Raman3 Fr= 1--     144.568                116.510                170.892
 ROA3   Fr= 1--      -0.034                169.928                330.162
 CID3   Fr= 1--      -0.000                  1.458                  1.932
 RC180  Fr= 1--      -0.469                 -0.477                 -0.237
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01   0.01  -0.02     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.05   0.03  -0.06    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.03   0.02  -0.06    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.03   0.01  -0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.02  -0.06  -0.01
    15   1     0.02   0.01  -0.05    -0.13  -0.08   0.26    -0.00  -0.00   0.00
    16   1     0.04  -0.02   0.05     0.54  -0.30   0.72     0.00  -0.00  -0.00
    17   1    -0.34  -0.22   0.73     0.01   0.01  -0.03     0.00  -0.00  -0.00
    18   1     0.31  -0.17   0.41    -0.02   0.01  -0.03    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1    -0.01  -0.01   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.27   0.96   0.11
    31   1    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.00   0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    33   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1345.734926925.358827223.32019
           X            0.99983   0.01747   0.00518
           Y           -0.01717   0.99844  -0.05315
           Z           -0.00610   0.05305   0.99857
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06436     0.01251     0.01199
 Rotational constants (GHZ):           1.34108     0.26060     0.24985
 Zero-point vibrational energy     746220.3 (Joules/Mol)
                                  178.35094 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.85    53.18    64.43    79.12    97.43
          (Kelvin)            160.08   239.92   284.71   327.17   335.90
                              359.77   366.04   427.69   458.38   497.95
                              557.48   586.06   603.26   615.26   652.98
                              795.25   835.87   871.49   914.20   953.69
                             1045.88  1083.48  1154.99  1184.48  1200.64
                             1224.94  1233.33  1255.81  1290.67  1347.41
                             1374.97  1382.58  1398.36  1401.82  1441.47
                             1503.23  1524.98  1567.38  1599.83  1638.71
                             1658.44  1707.60  1717.70  1745.41  1757.11
                             1779.83  1797.02  1867.06  1897.57  1929.41
                             1936.71  1946.22  1970.37  1974.77  1981.08
                             2019.42  2040.10  2047.66  2100.99  2137.48
                             2144.25  2152.06  2154.91  2160.82  2164.53
                             2174.59  2232.27  2327.46  2385.55  2603.28
                             4321.90  4342.98  4345.70  4355.04  4381.70
                             4397.39  4428.44  4437.56  4437.73  4445.99
                             4466.12  4470.27  4504.92  4544.44  4554.19
                             4570.98  4594.86  5363.39
 
 Zero-point correction=                           0.284220 (Hartree/Particle)
 Thermal correction to Energy=                    0.299899
 Thermal correction to Enthalpy=                  0.300843
 Thermal correction to Gibbs Free Energy=         0.239452
 Sum of electronic and zero-point Energies=           -656.738499
 Sum of electronic and thermal Energies=              -656.722821
 Sum of electronic and thermal Enthalpies=            -656.721877
 Sum of electronic and thermal Free Energies=         -656.783268
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.189             58.758            129.209
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.576
 Vibrational            186.412             52.797             54.758
 Vibration     1          0.593              1.985              6.433
 Vibration     2          0.594              1.982              5.416
 Vibration     3          0.595              1.979              5.036
 Vibration     4          0.596              1.976              4.629
 Vibration     5          0.598              1.970              4.219
 Vibration     6          0.607              1.940              3.247
 Vibration     7          0.624              1.883              2.472
 Vibration     8          0.637              1.843              2.153
 Vibration     9          0.651              1.799              1.899
 Vibration    10          0.654              1.790              1.852
 Vibration    11          0.663              1.763              1.730
 Vibration    12          0.665              1.755              1.700
 Vibration    13          0.691              1.679              1.432
 Vibration    14          0.705              1.638              1.317
 Vibration    15          0.724              1.583              1.184
 Vibration    16          0.756              1.497              1.010
 Vibration    17          0.772              1.454              0.936
 Vibration    18          0.782              1.428              0.894
 Vibration    19          0.789              1.410              0.866
 Vibration    20          0.812              1.352              0.784
 Vibration    21          0.908              1.134              0.539
 Vibration    22          0.938              1.072              0.484
 Vibration    23          0.964              1.020              0.440
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.724289-110       -110.140088       -253.606926
 Total V=0       0.390901D+21         20.592067         47.414986
 Vib (Bot)       0.211997-124       -124.673671       -287.071737
 Vib (Bot)    1  0.935804D+01          0.971185          2.236236
 Vib (Bot)    2  0.559922D+01          0.748127          1.722627
 Vib (Bot)    3  0.461871D+01          0.664520          1.530114
 Vib (Bot)    4  0.375706D+01          0.574848          1.323636
 Vib (Bot)    5  0.304671D+01          0.483831          1.114062
 Vib (Bot)    6  0.184032D+01          0.264894          0.609942
 Vib (Bot)    7  0.120981D+01          0.082718          0.190465
 Vib (Bot)    8  0.100846D+01          0.003657          0.008420
 Vib (Bot)    9  0.867141D+00         -0.061910         -0.142554
 Vib (Bot)   10  0.842360D+00         -0.074502         -0.171548
 Vib (Bot)   11  0.780497D+00         -0.107629         -0.247824
 Vib (Bot)   12  0.765533D+00         -0.116036         -0.267183
 Vib (Bot)   13  0.640757D+00         -0.193307         -0.445105
 Vib (Bot)   14  0.590544D+00         -0.228748         -0.526711
 Vib (Bot)   15  0.534438D+00         -0.272103         -0.626540
 Vib (Bot)   16  0.464178D+00         -0.333316         -0.767488
 Vib (Bot)   17  0.435213D+00         -0.361298         -0.831919
 Vib (Bot)   18  0.419010D+00         -0.377775         -0.869860
 Vib (Bot)   19  0.408205D+00         -0.389122         -0.895986
 Vib (Bot)   20  0.376671D+00         -0.424038         -0.976384
 Vib (Bot)   21  0.283181D+00         -0.547936         -1.261669
 Vib (Bot)   22  0.262043D+00         -0.581627         -1.339246
 Vib (Bot)   23  0.245067D+00         -0.610716         -1.406225
 Vib (V=0)       0.114415D+07          6.058484         13.950175
 Vib (V=0)    1  0.987139D+01          0.994378          2.289641
 Vib (V=0)    2  0.612150D+01          0.786858          1.811807
 Vib (V=0)    3  0.514569D+01          0.711444          1.638160
 Vib (V=0)    4  0.429018D+01          0.632476          1.456329
 Vib (V=0)    5  0.358746D+01          0.554787          1.277445
 Vib (V=0)    6  0.240704D+01          0.381483          0.878397
 Vib (V=0)    7  0.180906D+01          0.257454          0.592809
 Vib (V=0)    8  0.162560D+01          0.211015          0.485879
 Vib (V=0)    9  0.150097D+01          0.176371          0.406109
 Vib (V=0)   10  0.147958D+01          0.170137          0.391756
 Vib (V=0)   11  0.142692D+01          0.154399          0.355516
 Vib (V=0)   12  0.141435D+01          0.150558          0.346672
 Vib (V=0)   13  0.131275D+01          0.118183          0.272127
 Vib (V=0)   14  0.127378D+01          0.105096          0.241992
 Vib (V=0)   15  0.123186D+01          0.090563          0.208528
 Vib (V=0)   16  0.118225D+01          0.072708          0.167417
 Vib (V=0)   17  0.116288D+01          0.065535          0.150900
 Vib (V=0)   18  0.115236D+01          0.061587          0.141809
 Vib (V=0)   19  0.114547D+01          0.058984          0.135815
 Vib (V=0)   20  0.112600D+01          0.051540          0.118675
 Vib (V=0)   21  0.107462D+01          0.031256          0.071970
 Vib (V=0)   22  0.106451D+01          0.027148          0.062511
 Vib (V=0)   23  0.105683D+01          0.024004          0.055272
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.293707D+07          6.467915         14.892925
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665555444444443333333222221111100009999988888887766655444433322222111     
     2        97653009887542210                           051510099986210776544194321985318640776539755320526308552108419553296165432
     8        47591740448657094                           988214286060384739361989713473929052421667371433373561348977697403787185572
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX   XXXXXXXXXXXXXXXXXX XXXXXXX   X  XXXX
     X             XXXX   XXX                             X  X                        X    X X               XXX                     
     X               XX    XX                             X                           X    X                 XX                      
     X                X                                   X                           X    X                  X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
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                                                          X                                                                          
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                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000008985    0.000000860    0.000001620
      2        6           0.000002389    0.000002016   -0.000012107
      3        6          -0.000006555   -0.000000633   -0.000000340
      4        6          -0.000003379    0.000000261    0.000004122
      5        6           0.000009691   -0.000003031    0.000000202
      6        6          -0.000008623   -0.000000901    0.000006230
      7        6          -0.000004068    0.000005765    0.000008112
      8        6           0.000004158    0.000002418   -0.000004277
      9        6          -0.000001036   -0.000007279    0.000004827
     10        6          -0.000005906   -0.000001000    0.000002659
     11        6           0.000003723    0.000002762    0.000004472
     12        6          -0.000001191    0.000008856   -0.000067306
     13        8          -0.000003477    0.000009918    0.000032308
     14        8           0.000002671   -0.000016196    0.000032381
     15        1          -0.000000145    0.000000288   -0.000000963
     16        1           0.000001719    0.000000247   -0.000000321
     17        1          -0.000002538    0.000000891    0.000000142
     18        1           0.000002154   -0.000000813   -0.000000830
     19        1           0.000001636   -0.000003298   -0.000002055
     20        1           0.000002468   -0.000001267   -0.000000118
     21        1          -0.000001488   -0.000001662    0.000001101
     22        1          -0.000000340    0.000001084   -0.000000992
     23        1           0.000000132    0.000001794   -0.000003077
     24        1           0.000001158    0.000001413    0.000000179
     25        1           0.000003162   -0.000000508   -0.000002702
     26        1           0.000000688   -0.000000749   -0.000000456
     27        1           0.000001587    0.000001090   -0.000000602
     28        1          -0.000002291    0.000000880   -0.000001536
     29        6          -0.000003898   -0.000001520    0.000002719
     30        1           0.000000031    0.000000139    0.000000675
     31        1          -0.000001302   -0.000001673   -0.000001083
     32        1          -0.000000453    0.000000258   -0.000002496
     33        1           0.000000338   -0.000000410   -0.000000488
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000067306 RMS     0.000009027
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220678D+03 -0.157391D+01 -0.507287D+00
      2  -0.157391D+01  0.139115D+03 -0.674226D+01
      3  -0.507287D+00 -0.674226D+01  0.152890D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.169182D+01 -0.766751D+01  0.227652D+02
      2   0.113987D+02 -0.835908D+01  0.343817D+02
      3  -0.106003D+03 -0.477562D+02  0.108344D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.261435D+03  0.453264D+02  0.408500D+01
      2  -0.135259D+03 -0.286005D+02  0.213691D+02
      3  -0.126176D+03 -0.167259D+02 -0.254541D+02
      4  -0.348889D+02  0.854324D+02 -0.252469D+02
      5  -0.353117D+00 -0.272080D+02  0.680753D+02
      6  -0.124882D+02  0.149687D+02 -0.336122D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.114523D+02  0.214308D+00  0.974452D+00  0.547443D+01  0.207753D+01
      2   0.214308D+00  0.122561D+01  0.273405D+00  0.207753D+01  0.194462D+01
      3   0.974452D+00  0.273405D+00  0.155732D+01 -0.520714D-01 -0.276122D+01
                 6             7             8             9            10 
      1  -0.520714D-01 -0.987793D+01  0.384398D+00 -0.431194D+00  0.294785D+02
      2  -0.276122D+01  0.384398D+00 -0.149715D+01 -0.111950D+01  0.147451D+01
      3  -0.220111D+01 -0.431194D+00 -0.111950D+01 -0.166028D+01 -0.999054D+00
                11            12            13            14            15 
      1   0.147451D+01 -0.999054D+00 -0.641238D+00  0.450886D+01  0.116181D+01
      2   0.215360D+01 -0.613455D+00  0.450886D+01 -0.772742D+00 -0.654657D-01
      3  -0.613455D+00  0.283239D+01  0.116181D+01 -0.654657D-01 -0.592962D+00
                16            17            18            19            20 
      1  -0.265928D+01  0.107526D+01  0.115397D+01  0.870586D+01 -0.305483D+00
      2   0.107526D+01  0.507801D+00 -0.842902D+00 -0.305483D+00 -0.122104D+01
      3   0.115397D+01 -0.842902D+00 -0.636206D+00 -0.715386D+00 -0.525174D+00
                21            22            23            24            25 
      1  -0.715386D+00  0.390872D+01 -0.149287D+01 -0.107755D+01 -0.121608D+02
      2  -0.525174D+00 -0.149287D+01  0.236932D+01 -0.221785D+01 -0.201724D+00
      3  -0.294258D+01 -0.107755D+01 -0.221785D+01 -0.137027D+01  0.745844D+00
                26            27            28            29            30 
      1  -0.201724D+00  0.745844D+00 -0.265852D+02 -0.149317D+00  0.739336D+00
      2  -0.102975D+01 -0.849944D+00 -0.149317D+00 -0.182967D+01  0.254707D+00
      3  -0.849944D+00 -0.148363D+01  0.739336D+00  0.254707D+00 -0.281190D+01
                31            32            33            34            35 
      1   0.202927D+01 -0.460912D+01 -0.140506D+01  0.264301D+01 -0.120267D+01
      2  -0.460912D+01  0.420887D+00  0.424311D+00 -0.120267D+01 -0.242545D-01
      3  -0.140506D+01  0.424311D+00 -0.619327D-01 -0.785915D+00 -0.101980D+01
                36            37            38            39            40 
      1  -0.785915D+00  0.118704D+02 -0.299821D+00 -0.906556D+00 -0.359063D+01
      2  -0.101980D+01 -0.299821D+00 -0.253123D+01  0.125098D+01 -0.156509D+01
      3   0.462764D+00 -0.906556D+00  0.125098D+01 -0.179904D+01 -0.416763D+00
                41            42            43            44            45 
      1  -0.156509D+01 -0.416763D+00  0.103608D+02 -0.149672D+01  0.273953D+00
      2  -0.274174D+01  0.239872D+01 -0.149672D+01  0.131868D+01  0.139969D+01
      3   0.239872D+01  0.187430D+01  0.273953D+00  0.139969D+01  0.159569D+01
                46            47            48            49            50 
      1  -0.881286D+01  0.310930D+00  0.464155D+00 -0.273607D+01  0.105895D+01
      2   0.310930D+00  0.219958D+01 -0.754885D+00  0.105895D+01 -0.330185D+01
      3   0.464155D+00 -0.754885D+00  0.282533D+01  0.135722D+01  0.205360D+01
                51            52            53            54            55 
      1   0.135722D+01  0.118514D+02  0.145601D+01 -0.104668D+01 -0.144507D+02
      2   0.205360D+01  0.145601D+01  0.777037D-01  0.151427D+01 -0.201493D+01
      3   0.111092D+01 -0.104668D+01  0.151427D+01  0.827426D+00 -0.423569D+00
                56            57            58            59            60 
      1  -0.201493D+01 -0.423569D+00 -0.596666D+01 -0.745550D+01 -0.566217D+00
      2  -0.362877D+01 -0.142653D+00 -0.745550D+01  0.226931D+01 -0.186397D+01
      3  -0.142653D+00 -0.146215D+01 -0.566217D+00 -0.186397D+01 -0.160011D-01
                61            62            63            64            65 
      1  -0.566491D+01 -0.127270D+01 -0.327868D+01 -0.176165D+01  0.293392D+01
      2  -0.127270D+01 -0.333735D+01  0.613517D+00  0.293392D+01  0.393818D+01
      3  -0.327868D+01  0.613517D+00  0.530866D+01 -0.938483D-01  0.392299D+00
                66            67            68            69            70 
      1  -0.938483D-01  0.106899D+02  0.668147D+01  0.859287D+00  0.549824D+01
      2   0.392299D+00  0.668147D+01 -0.152007D+01  0.238627D+01  0.138197D+01
      3   0.260372D+01  0.859287D+00  0.238627D+01  0.481709D+00  0.395995D+01
                71            72            73            74            75 
      1   0.138197D+01  0.395995D+01  0.639846D+01 -0.255383D+01 -0.105364D+01
      2   0.340662D+01  0.598632D+00 -0.255383D+01 -0.377205D+01 -0.650315D+00
      3   0.598632D+00 -0.739627D+01 -0.105364D+01 -0.650315D+00 -0.200247D+01
                76            77            78            79            80 
      1  -0.357717D+01 -0.416007D+01 -0.951608D+00 -0.204171D+01 -0.936361D+00
      2  -0.416007D+01 -0.396592D+00 -0.309627D+01 -0.936361D+00 -0.421584D+01
      3  -0.951608D+00 -0.309627D+01 -0.107370D+01 -0.278335D+01 -0.191435D+01
                81            82            83            84            85 
      1  -0.278335D+01  0.546909D+01 -0.174016D+01 -0.383943D+00 -0.369135D+01
      2  -0.191435D+01 -0.174016D+01 -0.357951D+01 -0.530528D+00 -0.580938D+01
      3   0.551083D+01 -0.383943D+00 -0.530528D+00 -0.300671D+01 -0.900682D+00
                86            87            88            89            90 
      1  -0.580938D+01 -0.900682D+00 -0.178718D+01 -0.878525D+00 -0.469362D+01
      2   0.198302D+01 -0.399722D+01 -0.878525D+00 -0.401851D+01 -0.238748D+00
      3  -0.399722D+01 -0.413980D+00 -0.469362D+01 -0.238748D+00  0.448466D+01
                91            92            93            94            95 
      1   0.480090D+01  0.179039D+01  0.176821D+01 -0.230892D+01  0.551419D+01
      2   0.179039D+01  0.205460D+01  0.432209D+00  0.551419D+01 -0.341533D+01
      3   0.176821D+01  0.432209D+00  0.165293D+01  0.139986D+01  0.507634D+00
                96            97            98            99           100 
      1   0.139986D+01  0.307286D+01  0.193148D+01  0.255735D+01  0.667303D-01
      2   0.507634D+00  0.193148D+01  0.646093D+00  0.281726D+01 -0.764786D+00
      3   0.231913D+01  0.255735D+01  0.281726D+01 -0.322270D+01 -0.143942D+01
               101           102           103           104           105 
      1  -0.764786D+00 -0.143942D+01  0.486820D+00 -0.887946D+00  0.113889D+01
      2  -0.341155D+00  0.738602D+00 -0.887946D+00  0.286941D+01 -0.163878D+01
      3   0.738602D+00  0.412986D+00  0.113889D+01 -0.163878D+01 -0.244245D+01
               106           107           108           109           110 
      1  -0.342548D+01  0.128278D+01  0.111960D+01 -0.255371D+01  0.183197D+01
      2   0.128278D+01 -0.268435D+01 -0.323328D+01  0.183197D+01 -0.864686D+00
      3   0.111960D+01 -0.323328D+01 -0.220906D+01  0.325774D+01 -0.809757D+00
               111           112           113           114           115 
      1   0.325774D+01  0.252544D+01 -0.263408D+01 -0.162556D+01  0.552839D+01
      2  -0.809757D+00 -0.263408D+01  0.442815D+01  0.381237D+01 -0.250424D+01
      3  -0.139258D+01 -0.162556D+01  0.381237D+01  0.315011D+01 -0.314710D+01
               116           117           118           119           120 
      1  -0.250424D+01 -0.314710D+01  0.375501D+00 -0.420915D+00 -0.140859D+01
      2   0.420811D+01  0.397123D+01 -0.420915D+00  0.182555D+01 -0.153678D+00
      3   0.397123D+01  0.881030D+01 -0.140859D+01 -0.153678D+00 -0.757757D-01
               121           122           123           124           125 
      1  -0.146431D+01  0.270636D+01 -0.364380D+00 -0.326461D+01  0.899181D+00
      2   0.270636D+01 -0.592358D+01 -0.356991D+00  0.899181D+00 -0.175195D+01
      3  -0.364380D+00 -0.356991D+00 -0.240184D+00 -0.967220D+00  0.139248D+01
               126           127           128           129           130 
      1  -0.967220D+00  0.212329D+01  0.591905D+00 -0.206700D+01  0.207152D+00
      2   0.139248D+01  0.591905D+00  0.293986D+00 -0.425046D+00  0.112191D+00
      3  -0.396675D+01 -0.206700D+01 -0.425046D+00  0.212036D+01 -0.713683D+00
               131           132           133           134           135 
      1   0.112191D+00 -0.713683D+00 -0.240955D+01 -0.952096D+00  0.271890D+01
      2   0.361446D+00 -0.641652D+00 -0.952096D+00 -0.123926D+01  0.163425D+01
      3  -0.641652D+00  0.217012D+01  0.271890D+01  0.163425D+01 -0.722473D+01
               136           137           138           139           140 
      1  -0.444823D+01  0.103379D+01 -0.217541D+01  0.153958D+01 -0.695098D+00
      2   0.103379D+01 -0.759091D+00  0.575504D+00 -0.695098D+00  0.635083D+00
      3  -0.217541D+01  0.575504D+00 -0.185327D+01  0.114120D+01 -0.595049D+00
               141           142           143           144           145 
      1   0.114120D+01 -0.248565D+01  0.849783D+00 -0.272031D+01 -0.217152D+01
      2  -0.595049D+00  0.849783D+00 -0.111370D+01  0.143285D+01 -0.692793D+00
      3   0.181245D+01 -0.272031D+01  0.143285D+01 -0.476983D+01  0.210471D+01
               146           147           148           149           150 
      1  -0.692793D+00  0.210471D+01 -0.523532D+00 -0.208190D+00  0.783846D+00
      2  -0.408508D+00  0.669975D+00 -0.208190D+00 -0.568170D+00  0.856717D+00
      3   0.669975D+00 -0.214807D+01  0.783846D+00  0.856717D+00 -0.229476D+01
               151           152           153           154           155 
      1   0.210296D+01  0.101369D+01 -0.269098D+01  0.369122D+01 -0.109041D+01
      2   0.101369D+01  0.159612D+01 -0.234538D+01 -0.109041D+01  0.885605D+00
      3  -0.269098D+01 -0.234538D+01  0.724097D+01  0.260167D+01 -0.104889D+01
               156           157           158           159           160 
      1   0.260167D+01 -0.159101D+01  0.656587D+00 -0.128896D+01  0.273312D+01
      2  -0.104889D+01  0.656587D+00 -0.829697D+00  0.908065D+00 -0.123696D+01
      3   0.229270D+01 -0.128896D+01  0.908065D+00 -0.204549D+01  0.295943D+01
               161           162           163           164           165 
      1  -0.123696D+01  0.295943D+01  0.103643D+01 -0.992147D-01 -0.163941D+01
      2   0.159111D+01 -0.211165D+01 -0.992147D-01  0.724690D+00  0.297282D+00
      3  -0.211165D+01  0.523644D+01 -0.163941D+01  0.297282D+00  0.140645D+01
               166           167           168           169           170 
      1   0.148247D+01  0.119552D+01 -0.454082D-01 -0.363154D+01  0.127893D+00
      2   0.119552D+01 -0.472554D+00 -0.755260D+00  0.127893D+00 -0.110964D+01
      3  -0.454082D-01 -0.755260D+00  0.151220D-01  0.245401D+01 -0.121613D+01
               171           172           173           174           175 
      1   0.245401D+01  0.411361D+01 -0.197508D+01  0.705969D+00 -0.393483D+01
      2  -0.121613D+01 -0.197508D+01  0.236158D+01 -0.107761D+00  0.348258D+01
      3  -0.625144D+01  0.705969D+00 -0.107761D+00  0.409389D+00 -0.254370D+00
               176           177           178           179           180 
      1   0.348258D+01 -0.254370D+00  0.457982D+01 -0.468909D+00  0.115370D+01
      2  -0.669716D+01  0.947998D+00 -0.468909D+00  0.214187D+01 -0.113092D+01
      3   0.947998D+00 -0.747644D+00  0.115370D+01 -0.113092D+01  0.334652D+00
               181           182           183           184           185 
      1  -0.432717D+00 -0.628490D+00  0.139695D+01 -0.130538D+01 -0.826445D+00
      2  -0.628490D+00 -0.795343D+00 -0.385427D-01 -0.826445D+00  0.209724D+00
      3   0.139695D+01 -0.385427D-01 -0.101371D+01  0.106494D+00  0.747142D+00
               186           187           188           189           190 
      1   0.106494D+00  0.221004D+01  0.161280D+00 -0.792508D+00 -0.891949D+01
      2   0.747142D+00  0.161280D+00  0.977803D+00 -0.156007D-01  0.726154D+00
      3   0.652411D-01 -0.792508D+00 -0.156007D-01  0.736661D+01  0.394805D+00
               191           192           193           194           195 
      1   0.726154D+00  0.394805D+00  0.839321D-01 -0.143764D+01  0.812612D-01
      2  -0.214356D+01  0.994287D-01 -0.143764D+01  0.660581D+00  0.382975D+00
      3   0.994287D-01 -0.632070D+00  0.812612D-01  0.382975D+00  0.381989D+00
               196           197           198           199           200 
      1   0.494610D+00 -0.792900D-01 -0.373022D+00  0.354730D+00  0.669247D+00
      2  -0.792900D-01  0.653543D+00  0.563761D+00  0.669247D+00  0.945689D+00
      3  -0.373022D+00  0.563761D+00 -0.330729D+00 -0.111429D+01 -0.299679D+00
               201           202           203           204           205 
      1  -0.111429D+01  0.329233D+00  0.643626D+00 -0.765132D-01 -0.177115D+01
      2  -0.299679D+00  0.643626D+00  0.863004D+00 -0.780014D+00 -0.514511D+00
      3   0.141371D+01 -0.765132D-01 -0.780014D+00  0.581217D+00  0.155326D+01
               206           207           208           209           210 
      1  -0.514511D+00  0.155326D+01  0.229236D+01  0.270077D+01  0.925515D+00
      2  -0.187407D+01  0.192769D+01  0.270077D+01  0.336497D+01  0.708419D+00
      3   0.192769D+01 -0.685994D+01  0.925515D+00  0.708419D+00  0.960796D+00
               211           212           213           214           215 
      1   0.247366D+01  0.340798D+01  0.904259D+00  0.179924D+01  0.147821D+01
      2   0.340798D+01  0.725255D+01  0.205247D+01  0.147821D+01  0.349329D+01
      3   0.904259D+00  0.205247D+01  0.138063D+01  0.129489D+01  0.193019D+01
               216           217           218           219           220 
      1   0.129489D+01  0.227386D+01  0.117783D+00 -0.173294D+01  0.387183D+00
      2   0.193019D+01  0.117783D+00  0.671834D+00  0.733397D-01  0.127507D+01
      3   0.114891D+01 -0.173294D+01  0.733397D-01  0.177468D+01  0.253649D-01
               221           222           223           224           225 
      1   0.127507D+01  0.253649D-01 -0.438024D+01  0.113711D+00  0.343175D+01
      2  -0.175415D+00 -0.486353D+00  0.113711D+00 -0.914336D+00 -0.361296D-01
      3  -0.486353D+00  0.848065D-01  0.343175D+01 -0.361296D-01 -0.614161D+01
               226           227           228           229           230 
      1   0.198261D+01 -0.183596D+01  0.942652D+00 -0.382784D+01  0.339250D+01
      2  -0.183596D+01  0.183503D+01 -0.568898D+00  0.339250D+01 -0.585191D+01
      3   0.942652D+00 -0.568898D+00  0.887928D+00 -0.109896D+01  0.209742D+01
               231           232           233           234           235 
      1  -0.109896D+01  0.197119D+01 -0.974869D+00  0.174135D+01  0.486508D+01
      2   0.209742D+01 -0.974869D+00  0.223144D+01 -0.144448D+01  0.254058D+01
      3  -0.158885D+01  0.174135D+01 -0.144448D+01  0.126003D+01  0.178229D+01
               236           237           238           239           240 
      1   0.254058D+01  0.178229D+01  0.555469D+01  0.374871D+01  0.167435D+01
      2   0.201199D+01  0.916416D+00  0.374871D+01  0.374442D+01  0.196853D+01
      3   0.916416D+00  0.138093D+01  0.167435D+01  0.196853D+01  0.168272D+01
               241           242           243           244           245 
      1   0.356136D+01  0.149076D+01  0.255601D+01 -0.955443D-02 -0.867649D+00
      2   0.149076D+01  0.206247D+01  0.144597D+01 -0.867649D+00 -0.686146D+00
      3   0.255601D+01  0.144597D+01  0.172600D+01  0.128998D+01  0.267823D+00
               246           247           248           249           250 
      1   0.128998D+01 -0.121257D+01 -0.121319D+01  0.403094D+00  0.259711D+01
      2   0.267823D+00 -0.121319D+01 -0.101812D+01  0.126231D+01  0.415915D+00
      3  -0.117514D+01  0.403094D+00  0.126231D+01 -0.158218D+01 -0.185611D+01
               251           252           253           254           255 
      1   0.415915D+00 -0.185611D+01  0.836930D+01 -0.760156D+00 -0.203116D+01
      2   0.149831D+01 -0.142266D+01 -0.760156D+00 -0.338018D+01 -0.109599D+01
      3  -0.142266D+01  0.522913D+01 -0.203116D+01 -0.109599D+01 -0.160642D+01
               256           257           258           259           260 
      1  -0.364474D+01 -0.301870D+01 -0.135995D+01 -0.644119D+01 -0.159540D+01
      2  -0.301870D+01  0.502056D+01 -0.443599D+00 -0.159540D+01 -0.181801D+01
      3  -0.135995D+01 -0.443599D+00 -0.253353D+01 -0.215570D+01 -0.258322D+01
               261           262           263           264           265 
      1  -0.215570D+01 -0.128399D+01  0.148702D+01 -0.580347D+00  0.243011D+01
      2  -0.258322D+01  0.148702D+01 -0.175346D+01  0.419731D+00 -0.331719D+01
      3   0.279271D+01 -0.580347D+00  0.419731D+00 -0.459118D+00  0.776420D+00
               266           267           268           269           270 
      1  -0.331719D+01  0.776420D+00 -0.341090D-01 -0.243918D+00 -0.334539D+00
      2   0.821892D+01 -0.161407D+01 -0.243918D+00  0.371029D+00  0.588843D+00
      3  -0.161407D+01  0.147772D+01 -0.334539D+00  0.588843D+00 -0.610430D+00
               271           272           273           274           275 
      1  -0.195187D+00  0.483902D+00 -0.579659D+00  0.144923D+01  0.390612D+00
      2   0.483902D+00  0.531193D+00  0.183774D+00  0.390612D+00  0.434586D+00
      3  -0.579659D+00  0.183774D+00  0.407804D+00  0.352301D+00 -0.667413D+00
               276           277           278           279           280 
      1   0.352301D+00 -0.178375D+01 -0.190752D+00 -0.663307D+00 -0.151859D+02
      2  -0.667413D+00 -0.190752D+00 -0.112319D+01  0.399151D+00 -0.180100D+01
      3   0.129316D+01 -0.663307D+00  0.399151D+00 -0.618917D+01 -0.243021D+00
               281           282           283           284           285 
      1  -0.180100D+01 -0.243021D+00  0.508711D+00 -0.122524D+01  0.134331D+00
      2  -0.130330D+01 -0.165300D+00 -0.122524D+01 -0.677497D+00  0.103261D+00
      3  -0.165300D+00 -0.103807D+01  0.134331D+00  0.103261D+00  0.352211D+00
               286           287           288           289           290 
      1   0.191418D+01  0.413960D+00 -0.112016D+01 -0.488470D-02 -0.907191D+00
      2   0.413960D+00  0.552304D+00  0.113537D+00 -0.907191D+00  0.197403D+01
      3  -0.112016D+01  0.113537D+00  0.478780D-01  0.238815D+00  0.376661D+00
               291           292           293           294           295 
      1   0.238815D+00 -0.154424D+01 -0.296968D+00 -0.102253D+00  0.900739D+00
      2   0.376661D+00 -0.296968D+00 -0.932315D+01 -0.928622D+00  0.273373D+00
      3   0.479623D+00 -0.102253D+00 -0.928622D+00 -0.102849D+01  0.166418D+00
               296           297 
      1   0.273373D+00  0.166418D+00
      2   0.417039D+00 -0.818610D+00
      3  -0.818610D+00 -0.430901D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.433957D+00 -0.203495D+01  0.582980D+00 -0.657458D+01 -0.245382D+01
      2   0.286530D+01 -0.246212D+01  0.964158D+01 -0.181203D+01  0.153286D+01
      3   0.166476D+02 -0.234389D+01  0.300373D+01  0.781854D+01 -0.124378D+01
                 6             7             8             9            10 
      1  -0.219200D+01 -0.228273D+01  0.226010D+01 -0.165080D+00 -0.105401D+00
      2  -0.331724D+01 -0.492835D+01 -0.120649D+01  0.229218D+01  0.128796D+01
      3   0.208947D+01  0.135616D+02  0.472382D+00  0.303010D+01 -0.302591D+02
                11            12            13            14            15 
      1   0.871737D-01  0.207765D+01  0.190769D+01  0.449806D+01 -0.831334D+01
      2   0.585956D+00 -0.352128D+01  0.409418D+01  0.487386D+00  0.894673D+00
      3  -0.119558D+01  0.817670D+00  0.112599D+02 -0.171340D+01 -0.461276D+00
                16            17            18            19            20 
      1  -0.253477D+01 -0.265824D+01 -0.422196D+01  0.508013D+00  0.153553D+01
      2  -0.232122D+02 -0.133416D+01 -0.318135D+01 -0.386013D+01 -0.145692D+01
      3  -0.142225D+01 -0.797936D+00 -0.240549D+01 -0.106545D+02 -0.829024D+00
                21            22            23            24            25 
      1  -0.129068D+01  0.533656D+01 -0.186132D+01 -0.349924D+01  0.360645D+01
      2   0.331857D+01 -0.368140D+01 -0.171079D+01  0.105796D+01 -0.252361D+01
      3   0.263898D+01  0.701428D+01  0.146248D+01 -0.279305D+01  0.163903D+02
                26            27            28            29            30 
      1   0.225054D+01 -0.149714D+01 -0.911748D+00  0.131058D+01 -0.186936D+01
      2   0.371693D+00 -0.546838D+00  0.310428D+01  0.894176D+00 -0.225791D+01
      3  -0.154148D+01 -0.428431D+01  0.280909D+02 -0.159440D+00 -0.189089D+01
                31            32            33            34            35 
      1  -0.227851D+00  0.398106D+01 -0.903324D+01 -0.450921D+01 -0.207272D+01
      2   0.349482D+01 -0.844814D-01  0.232448D+01 -0.242551D+02  0.416031D+01
      3   0.830136D+01  0.493005D+01  0.110594D+01 -0.631495D+01 -0.866930D+00
                36            37            38            39            40 
      1  -0.319880D+01 -0.539850D+00 -0.127654D+01 -0.204005D+01 -0.560487D+01
      2  -0.503232D+00  0.578290D+00 -0.262019D+01  0.844329D+01 -0.219364D+01
      3   0.126002D+01 -0.132282D+02 -0.106898D+01  0.300468D+01  0.146398D+02
                41            42            43            44            45 
      1   0.115054D+01  0.622119D+00 -0.773230D+00  0.374320D+01  0.204718D+01
      2   0.138447D+01 -0.151764D+01 -0.709250D+01 -0.101673D+01  0.154321D+01
      3  -0.100909D+01  0.243511D+01 -0.982584D+01  0.321684D+01  0.184319D+01
                46            47            48            49            50 
      1  -0.238545D+00  0.139473D+01  0.305631D+01  0.764252D+01  0.142357D+01
      2  -0.166293D+01 -0.195408D+01  0.388305D+01 -0.331185D+01 -0.148831D+01
      3   0.126220D+02 -0.124470D+01 -0.874068D+00  0.135672D+02  0.146822D+01
                51            52            53            54            55 
      1  -0.261368D+01  0.269509D+01  0.391996D+01  0.518048D+00 -0.188683D+01
      2   0.537894D+00 -0.249911D+01  0.118656D+01 -0.128937D+01 -0.411053D+01
      3  -0.388087D+01 -0.104515D+02 -0.220306D+01 -0.670373D+00  0.156688D+02
                56            57            58            59            60 
      1  -0.185281D-01 -0.824199D+00 -0.324390D+00 -0.551720D+01 -0.105660D+01
      2   0.602196D+00 -0.134963D+01 -0.203201D+01 -0.113826D+02  0.148118D+01
      3   0.994152D+01  0.239588D+00  0.365169D+02  0.215715D+00  0.695453D+01
                61            62            63            64            65 
      1  -0.576356D+00  0.424030D+01  0.470308D+01  0.211691D+01  0.112539D+01
      2  -0.216121D+02  0.732651D+00  0.203944D+02  0.387069D+01  0.154992D+01
      3   0.937467D+01  0.121864D+02  0.190265D+01 -0.192245D+02 -0.204161D+02
                66            67            68            69            70 
      1  -0.187901D+01 -0.804478D-01 -0.188243D+01 -0.211463D+01  0.437667D+00
      2   0.140053D+02  0.519356D+01  0.113753D+02  0.199988D+00  0.128518D+02
      3  -0.180744D+01 -0.262354D+02  0.573615D+01 -0.991001D+01 -0.102471D+02
                71            72            73            74            75 
      1   0.481091D+01  0.482665D+01  0.185894D+01  0.229381D+01  0.503353D+01
      2   0.314675D+01 -0.342470D+02 -0.483089D+00 -0.394307D+01 -0.515874D+01
      3  -0.143344D+02 -0.232264D+01  0.262892D+02  0.416443D+01  0.804468D+00
                76            77            78            79            80 
      1   0.302699D+01  0.970773D+01  0.174622D+01  0.690532D+01  0.844327D+01
      2  -0.509978D+01 -0.114252D+02 -0.385766D+01 -0.120955D+02 -0.656666D+01
      3   0.108640D+02 -0.672613D+01  0.916383D+01  0.149392D+01  0.126580D+02
                81            82            83            84            85 
      1  -0.122700D+02 -0.465757D+00 -0.570444D+00  0.345444D+00 -0.677146D+00
      2   0.186353D+02 -0.516007D+01 -0.222859D+01 -0.158708D+02 -0.408598D+01
      3   0.253863D+01  0.921757D+01  0.189726D+02  0.282540D+01  0.385043D+02
                86            87            88            89            90 
      1   0.143476D+01 -0.273400D+01  0.742467D+00  0.793535D+00 -0.130278D+01
      2  -0.220623D+02 -0.680839D+00 -0.314261D+02 -0.104793D+01  0.265177D+02
      3  -0.126000D+02  0.231274D+02  0.450434D+01  0.226865D+02  0.132292D+01
                91            92            93            94            95 
      1   0.199020D+01 -0.922376D+00  0.155215D+01  0.406657D+00 -0.136586D+01
      2  -0.102187D+02  0.690624D-01 -0.215043D+01 -0.911326D+00 -0.397516D+01
      3  -0.398341D+01  0.117599D+01 -0.696038D+00  0.333017D+02 -0.160303D+02
                96            97            98            99           100 
      1  -0.211933D+01  0.159819D+01  0.544833D+01 -0.317324D+00  0.117716D+01
      2  -0.101320D+02 -0.171532D+02 -0.104250D+02  0.114821D+02  0.539997D+01
      3  -0.108473D+01  0.209448D+01 -0.891964D+00  0.709860D+01  0.140673D+02
               101           102           103           104           105 
      1   0.184750D+01 -0.334925D+01  0.976075D+00 -0.140631D+01  0.782574D+00
      2  -0.393941D+01  0.729708D+01 -0.171088D+01  0.508543D+01  0.156984D+02
      3  -0.161709D+02  0.189064D+01 -0.761467D+01  0.107983D+01 -0.391060D+01
               106           107           108           109           110 
      1  -0.390366D+01 -0.207886D+00  0.428111D+01 -0.330386D+01 -0.236737D+01
      2  -0.208369D+01  0.132763D+02  0.939578D+01 -0.894425D+01  0.249338D+01
      3   0.852104D+01 -0.932682D+01 -0.965777D+01  0.110182D+00 -0.604627D+00
               111           112           113           114           115 
      1   0.189901D+01 -0.177443D+01  0.350024D+01 -0.582711D+01  0.102039D+01
      2   0.476738D+01 -0.119382D+01 -0.109087D+02 -0.133804D+02  0.247415D+01
      3  -0.529531D+00 -0.397304D+01  0.186214D+02  0.123313D+02 -0.107331D+02
               116           117           118           119           120 
      1   0.601876D+01 -0.991508D+01  0.357161D+01 -0.734738D+00  0.400111D+00
      2  -0.124055D+02 -0.315622D+02  0.535678D+01 -0.149368D-01  0.175044D+01
      3   0.157783D+02  0.120948D+02 -0.309250D+01  0.480663D+01 -0.294669D+01
               121           122           123           124           125 
      1  -0.125753D+01  0.510185D+01 -0.183010D+01 -0.138055D+01  0.620875D+01
      2   0.103467D+01  0.364566D+01 -0.718136D+00 -0.902611D+00 -0.411252D+01
      3   0.826111D+01 -0.168901D+02 -0.229448D+01  0.296498D+01 -0.663445D+01
               126           127           128           129           130 
      1   0.743774D+01 -0.178808D+01 -0.197420D+01  0.107263D+01 -0.109022D+00
      2   0.153089D+02  0.481697D+01  0.850382D+00 -0.122617D+01  0.210769D+00
      3   0.527353D+01 -0.310891D+00 -0.100319D+01  0.894719D+00  0.126605D+01
               131           132           133           134           135 
      1  -0.116052D+01 -0.301344D+00  0.314049D+01  0.555209D+01 -0.488182D+01
      2  -0.135371D+00  0.525941D+00 -0.499693D+01 -0.636928D+00 -0.167329D+01
      3  -0.452796D+00  0.379371D+00  0.109454D+01  0.228802D+01 -0.175725D+01
               136           137           138           139           140 
      1  -0.228892D+01  0.314676D+01 -0.748806D+00  0.147223D+01 -0.147459D+01
      2  -0.953279D+01  0.144656D+01 -0.148416D+01  0.158160D+01 -0.890489D+00
      3   0.148023D+00 -0.151712D+01  0.677923D+00  0.873840D+00  0.110857D+01
               141           142           143           144           145 
      1  -0.671755D+00 -0.178367D+01  0.398789D+01 -0.293595D+01  0.193568D+01
      2   0.107757D+00 -0.408555D+01  0.215452D+00  0.736368D+00  0.443398D+01
      3  -0.695889D-01  0.807949D+00 -0.245344D+01  0.162370D+01  0.290880D+01
               146           147           148           149           150 
      1  -0.977499D+00 -0.223852D+01  0.118393D+01  0.215916D+00 -0.366363D+01
      2   0.528928D+00 -0.111333D+01  0.583948D+00 -0.689808D-01  0.637131D+00
      3  -0.577970D-01 -0.206786D+01  0.185988D+01 -0.265176D+00 -0.705708D+00
               151           152           153           154           155 
      1  -0.177473D+01  0.227694D+01  0.573022D+01  0.269090D+01  0.139364D+01
      2  -0.432653D+01 -0.320810D+00 -0.991552D+00 -0.541447D+01  0.304125D+00
      3  -0.238981D+01  0.101829D+01  0.177621D+01 -0.501755D+01 -0.724461D+00
               156           157           158           159           160 
      1   0.233817D+01 -0.139073D+01  0.219096D+00 -0.371766D+01  0.239054D+01
      2  -0.527972D+00  0.734697D+00  0.184257D+00 -0.925671D+00 -0.320912D+01
      3  -0.245735D+01  0.364799D+01  0.694789D+00  0.871258D+00 -0.302755D+01
               161           162           163           164           165 
      1   0.151014D+01  0.429805D+01 -0.145512D+01 -0.611858D+00  0.120550D+01
      2  -0.282366D+00  0.223404D+01 -0.595833D+01  0.555816D+00  0.539918D+01
      3  -0.134439D+01 -0.181076D+01 -0.158131D+01 -0.348094D+01  0.761778D+00
               166           167           168           169           170 
      1   0.111915D+00 -0.266439D+00 -0.874333D+00  0.235562D+01  0.208654D+01
      2   0.448521D+00 -0.148289D+01  0.450482D+00  0.233875D+01 -0.406910D+01
      3  -0.323939D+01  0.415758D+00  0.193958D+01  0.314136D+01  0.395908D+01
               171           172           173           174           175 
      1  -0.650124D+01  0.115209D+01 -0.105846D+01  0.148169D+01 -0.165022D+01
      2  -0.208533D+02  0.490509D+01 -0.164593D+01  0.344086D+01 -0.264658D+01
      3   0.299252D+00  0.115929D+01 -0.704921D+01 -0.148098D+00 -0.429055D+01
               176           177           178           179           180 
      1   0.356594D+01 -0.345794D+01  0.172903D+01 -0.121617D+01  0.123008D+01
      2   0.615194D+01 -0.370091D+01  0.378982D+01 -0.438666D+01  0.112349D+01
      3   0.183606D+02 -0.240715D+01 -0.315028D+01 -0.694635D+01  0.206085D+01
               181           182           183           184           185 
      1  -0.211228D+01 -0.141651D+01  0.101448D+01 -0.916376D+00 -0.328306D+00
      2   0.775994D+01  0.510195D+00 -0.495571D+01  0.154628D+01  0.368581D+01
      3   0.181930D+01  0.233241D+01  0.372425D+00  0.509359D+01 -0.865875D+00
               186           187           188           189           190 
      1  -0.499159D+00  0.157009D+01  0.348709D+01 -0.436167D+01  0.177996D+00
      2  -0.393517D+00 -0.910505D+01 -0.865938D+00  0.305276D+02 -0.171021D+01
      3  -0.289891D+01  0.399478D-01 -0.338340D+01 -0.418034D+00 -0.270283D+02
               191           192           193           194           195 
      1   0.213952D+00  0.221470D+01 -0.924633D-01 -0.101704D+01 -0.119996D+01
      2   0.606656D+00 -0.158348D+00  0.633673D+00  0.104496D+01  0.199139D+00
      3   0.602696D+01  0.615989D+00  0.663590D+01 -0.417373D+01 -0.128439D+01
               196           197           198           199           200 
      1   0.225494D+01  0.389036D+00  0.759750D+00  0.248511D+01 -0.757416D-01
      2  -0.355780D+01  0.123697D+01 -0.106232D+01 -0.372958D+01 -0.111161D+01
      3   0.794417D+00 -0.234552D+01 -0.283823D+01 -0.254963D+01 -0.327883D+01
               201           202           203           204           205 
      1  -0.311495D+01  0.209086D+00  0.123209D+01 -0.215571D+01 -0.309531D+01
      2   0.512061D+01 -0.269488D+00 -0.229001D+01  0.137160D+01  0.946022D+00
      3  -0.607511D+00 -0.610081D+00 -0.164801D+01  0.229927D+01 -0.220575D+01
               206           207           208           209           210 
      1  -0.258889D+00  0.156257D+02 -0.260806D+01 -0.215070D+01 -0.378326D+01
      2   0.608973D+01 -0.229525D+02  0.346754D+01  0.301655D+01  0.465651D+01
      3   0.664200D+01 -0.478309D+01 -0.491211D+01 -0.864028D+01 -0.611816D+00
               211           212           213           214           215 
      1  -0.346317D+01 -0.589590D+01 -0.601957D+01 -0.347930D+01 -0.351397D+01
      2   0.326262D+01  0.786262D+01  0.595210D+01  0.361746D+01  0.693463D+01
      3  -0.345780D+01 -0.199355D+02 -0.515472D+01 -0.883934D+00 -0.103780D+02
               216           217           218           219           220 
      1  -0.354062D+01  0.367805D+00 -0.492179D+00 -0.122848D+00  0.111586D+00
      2   0.435651D+01 -0.990061D+01  0.320429D+00  0.116920D+02  0.753015D-01
      3  -0.452170D+01 -0.482916D+00 -0.476665D+01 -0.477172D+00 -0.553654D+01
               221           222           223           224           225 
      1   0.719876D-01 -0.848868D+00 -0.711683D+00  0.248594D+01  0.116194D+01
      2  -0.263055D+01  0.365539D+00  0.164721D+02 -0.183747D+00 -0.363697D+02
      3   0.107262D+01  0.236033D+01 -0.876695D+00  0.600147D+01  0.355627D-01
               226           227           228           229           230 
      1  -0.906460D+00  0.870446D+00  0.384327D+00  0.106755D+01 -0.294517D+01
      2   0.462652D+01 -0.265947D+01  0.557443D+01 -0.414797D+01  0.111182D+02
      3   0.993928D+01 -0.115015D+02  0.330547D+01 -0.152691D+02  0.335603D+02
               231           232           233           234           235 
      1  -0.144573D+01 -0.423632D+00  0.206789D+01  0.540089D-01  0.384695D+00
      2  -0.979493D+01  0.733530D+01 -0.780482D+01  0.646248D+01  0.795652D+01
      3  -0.117338D+02  0.468700D+01 -0.130300D+02  0.771130D+01 -0.124059D+02
               236           237           238           239           240 
      1   0.957652D+00 -0.935671D+00  0.595079D+00  0.139696D+01 -0.149866D+01
      2   0.423244D+01  0.920587D+01  0.694198D+01  0.100111D+02  0.101111D+02
      3  -0.130883D+02 -0.487839D+01 -0.176009D+02 -0.214358D+02 -0.108931D+02
               241           242           243           244           245 
      1  -0.534003D+00  0.161757D+01 -0.688585D+00  0.204667D+00 -0.395816D+00
      2   0.114807D+02  0.755849D+01  0.905229D+01 -0.519485D+01 -0.553207D+00
      3  -0.694098D+01 -0.123518D+02 -0.761751D+01 -0.301118D+01 -0.229245D+01
               246           247           248           249           250 
      1  -0.713954D+00 -0.975493D-01  0.171283D+00 -0.168916D+01 -0.728528D+00
      2   0.400336D+01 -0.409126D-01 -0.349469D+01  0.549715D+01  0.126035D+01
      3   0.423271D-01 -0.120418D+01 -0.248943D+01  0.347986D+01 -0.907016D+00
               251           252           253           254           255 
      1   0.212486D+01  0.302072D+01 -0.227155D+01  0.930400D+00 -0.264904D+01
      2   0.464054D+01 -0.168104D+02  0.187269D+02  0.513818D+01  0.885653D+01
      3   0.450957D+01 -0.350540D+01 -0.155298D+02 -0.137363D+02 -0.955512D+00
               256           257           258           259           260 
      1  -0.114872D+01 -0.634600D+01 -0.623178D+01 -0.128994D+01 -0.105345D+01
      2   0.471860D+01  0.122883D+00  0.925734D+01  0.565163D+01  0.100207D+02
      3  -0.453793D+01  0.245657D+02  0.943558D+00  0.117072D+01 -0.246899D+01
               261           262           263           264           265 
      1   0.835813D+01 -0.714165D-01  0.823674D+00  0.691045D+00  0.130407D+01
      2  -0.158760D+02  0.119087D+01 -0.676608D+00  0.151396D+01 -0.120188D+01
      3  -0.727312D+01  0.336150D+01 -0.449261D+01  0.155181D+01 -0.693871D+01
               266           267           268           269           270 
      1  -0.419456D+01 -0.253912D+01 -0.150114D+00  0.664624D-01 -0.448339D+00
      2   0.398825D+01 -0.507159D+01  0.516294D+00 -0.161648D+01  0.158058D+01
      3   0.265538D+02 -0.500630D+01 -0.655210D+00  0.144875D+01  0.179719D+01
               271           272           273           274           275 
      1  -0.228425D+01 -0.856688D+00  0.587641D+00 -0.299092D+00 -0.309648D+01
      2   0.541080D+01  0.514314D+00 -0.252798D+01  0.168694D+01  0.364346D+01
      3   0.257618D+01  0.113317D+01  0.107331D+01  0.108397D+01  0.146491D+01
               276           277           278           279           280 
      1   0.219146D+01 -0.934529D-01  0.446572D+01 -0.109107D+02  0.929460D+00
      2  -0.564217D+01 -0.261158D+01 -0.264887D+01  0.252351D+02 -0.938807D+01
      3  -0.296141D+01  0.120878D+01 -0.413489D+01  0.307176D+01  0.146251D+02
               281           282           283           284           285 
      1   0.802194D+00 -0.192991D+01  0.103823D+01  0.676676D+00 -0.152538D-01
      2  -0.299046D+00  0.778372D+01 -0.851643D+00 -0.123524D+01 -0.124079D+01
      3  -0.612717D+01 -0.700184D+00 -0.427142D+01 -0.100120D+01  0.375472D+00
               286           287           288           289           290 
      1  -0.195523D+01  0.838046D+00 -0.171319D+00  0.125292D+01 -0.798816D+00
      2   0.435382D+01 -0.724532D+00 -0.476090D+00 -0.748190D+00 -0.201915D+01
      3  -0.103064D+01  0.173078D+01  0.220184D+01 -0.518689D+01  0.768272D+01
               291           292           293           294           295 
      1   0.155215D+01 -0.443238D+00  0.622927D+01 -0.363437D+01  0.741345D+00
      2  -0.159641D+01 -0.105098D+01  0.394118D+01  0.370366D+01 -0.175823D+01
      3   0.502946D+00  0.461578D+01 -0.336139D+02 -0.265502D+01 -0.787371D+00
               296           297 
      1  -0.558911D+00 -0.992821D-01
      2   0.286775D+01  0.176592D+01
      3   0.837504D+00 -0.307637D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.554995D+00 -0.810350D+01  0.231099D+02  0.160070D+02 -0.317273D+01
      2   0.540333D+01  0.344323D+01 -0.871359D+01 -0.348989D+01  0.477276D+01
      3  -0.484834D+01  0.466027D+01 -0.143963D+02 -0.125171D+02 -0.160003D+01
      4  -0.378997D+01  0.330832D+01 -0.545310D+00  0.924981D+01  0.418732D+01
      5   0.191839D+02  0.108450D+01 -0.755665D+01 -0.439277D+01 -0.240728D+01
      6   0.541351D+00 -0.368974D+01 -0.826958D-01 -0.119027D+01  0.375972D+01
                 6             7             8             9            10 
      1  -0.164598D+02 -0.234298D+02 -0.105212D+02  0.551668D+01  0.486544D+02
      2   0.146142D+01  0.272705D+01  0.215732D+01  0.427403D+01 -0.178275D+02
      3   0.149983D+02  0.207027D+02  0.836385D+01 -0.979071D+01 -0.308269D+02
      4  -0.392891D+01  0.304473D+01 -0.247988D+01 -0.532059D+01 -0.113688D+02
      5  -0.405204D+01  0.869217D+01 -0.459648D+01  0.662175D+01 -0.296589D+01
      6   0.124142D+02 -0.672927D+01  0.636977D+01  0.147044D+02  0.125062D+01
                11            12            13            14            15 
      1   0.802822D+01 -0.611177D+00  0.104590D+02 -0.786955D+00  0.633546D+01
      2  -0.731687D+01  0.270999D+01 -0.999663D+01  0.668565D+01 -0.118539D+01
      3  -0.711346D+00 -0.209881D+01 -0.462372D+00 -0.589870D+01 -0.515008D+01
      4   0.225333D+01 -0.315861D+01  0.173283D+02 -0.478901D+01 -0.875239D+00
      5  -0.374517D+01  0.647841D+01  0.106221D+02 -0.431882D-01 -0.197802D+01
      6  -0.166119D+00 -0.679792D+01 -0.476543D+01  0.385006D+01  0.817534D+01
                16            17            18            19            20 
      1  -0.102508D+02  0.769617D+01 -0.195685D+02 -0.184069D+01  0.531028D+01
      2  -0.129822D+00  0.439872D+01  0.188040D+01 -0.320221D+00 -0.203981D+01
      3   0.103807D+02 -0.120949D+02  0.176881D+02  0.216092D+01 -0.327047D+01
      4   0.151455D+02  0.475665D+00 -0.941858D+00  0.558288D+01 -0.973855D+00
      5  -0.154122D+02 -0.187901D+01 -0.374399D+01 -0.170911D+02  0.231752D+01
      6  -0.443337D+01  0.566157D+00 -0.580104D+01  0.245569D+01  0.524515D+01
                21            22            23            24            25 
      1  -0.275204D+02 -0.944173D+01 -0.498713D+01 -0.692509D+01  0.229107D+02
      2   0.769210D+01 -0.171072D+01  0.630091D+01  0.103041D+00 -0.119663D+01
      3   0.198283D+02  0.111525D+02 -0.131379D+01  0.682205D+01 -0.217140D+02
      4   0.216642D+01  0.435019D+01 -0.120636D+01  0.355585D+01  0.317317D+01
      5  -0.289778D+01  0.949985D+00  0.193970D+01  0.656071D+01  0.100017D+02
      6   0.538463D+01  0.226896D+01  0.305111D+01  0.844614D+01  0.108991D+02
                26            27            28            29            30 
      1  -0.875805D+01  0.876502D+01  0.139334D+02 -0.263759D+01  0.203515D+01
      2   0.147707D+01 -0.160483D+01 -0.415600D+01  0.649673D+01  0.673039D+00
      3   0.728098D+01 -0.716019D+01 -0.977744D+01 -0.385914D+01 -0.270819D+01
      4   0.399383D+01  0.699556D+01  0.180705D+02  0.297603D+01 -0.238620D+01
      5   0.574018D+01 -0.512791D+01  0.183475D+01 -0.187081D+01  0.797770D+01
      6   0.301251D+01  0.113729D+02  0.304818D+01 -0.675489D+00  0.482152D+01
                31            32            33            34            35 
      1  -0.213397D+01 -0.290334D+01  0.852196D+01 -0.899510D+01  0.970572D+01
      2   0.760075D+01  0.532563D+01 -0.213156D+01  0.247282D+01  0.358179D+01
      3  -0.546678D+01 -0.242229D+01 -0.639040D+01  0.652228D+01 -0.132875D+02
      4   0.139978D+02  0.761438D+00  0.144811D+01  0.116302D+02  0.498550D+01
      5   0.131707D+02 -0.225921D+00  0.244676D+01 -0.183563D+02  0.379155D+01
      6  -0.132479D+01  0.364779D+01  0.649962D+01 -0.117611D+01  0.648909D+00
                36            37            38            39            40 
      1  -0.226000D+02  0.123089D+02 -0.136345D+02  0.255989D+02  0.500130D+01
      2   0.411393D+01  0.130865D+00  0.120327D+02 -0.123676D+02  0.414926D+01
      3   0.184861D+02 -0.124398D+02  0.160180D+01 -0.132313D+02 -0.915055D+01
      4   0.155145D+01 -0.934118D+01 -0.322716D+00  0.369651D+01  0.138422D+02
      5  -0.558970D+00  0.172441D+02  0.199778D+01 -0.903325D+01 -0.457063D+00
      6  -0.758347D+01 -0.685937D+00 -0.560049D+01  0.554479D+01 -0.455121D+00
                41            42            43            44            45 
      1  -0.119813D+02 -0.609716D+01 -0.166566D+02 -0.528535D+01  0.101351D+02
      2   0.185038D+02 -0.104144D+02  0.135202D+01 -0.371110D+01 -0.168427D+01
      3  -0.652244D+01  0.165116D+02  0.153046D+02  0.899645D+01 -0.845084D+01
      4   0.688783D+01 -0.254058D+01 -0.412734D+01 -0.238209D+01 -0.620191D+01
      5  -0.134267D+01 -0.294915D+01  0.103512D+02 -0.630572D+01  0.718533D+01
      6  -0.687727D+01  0.637770D+01 -0.105240D+02  0.156402D+01  0.890344D+01
                46            47            48            49            50 
      1  -0.112132D+02  0.109230D+02 -0.266351D+02 -0.662655D+01 -0.157733D+02
      2   0.305109D+01 -0.972206D+01  0.933749D+01 -0.512621D+01  0.223043D+02
      3   0.816214D+01 -0.120095D+01  0.172976D+02  0.117528D+02 -0.653104D+01
      4   0.946464D+01 -0.499944D+00  0.508662D+01  0.551286D+01 -0.643171D+01
      5  -0.172611D+02  0.468023D+01 -0.264925D+01  0.476844D+01  0.173030D+01
      6   0.411179D+01  0.549266D+01 -0.434622D+01  0.128857D+00 -0.571034D+01
                51            52            53            54            55 
      1   0.194277D+01  0.363948D+02 -0.424329D+01  0.994098D+01 -0.359328D+02
      2  -0.100406D+02 -0.831705D+01 -0.126434D+01 -0.475068D+01  0.116832D+02
      3   0.809782D+01 -0.280777D+02  0.550764D+01 -0.519030D+01  0.242496D+02
      4   0.152128D+01 -0.392664D+01  0.887014D+00  0.703889D+01  0.183493D+01
      5   0.574983D+01  0.521855D+01  0.676268D+01 -0.725845D+01 -0.390752D+01
      6   0.403259D+01  0.111756D+02 -0.221123D+01  0.822098D+01  0.259100D+01
                56            57            58            59            60 
      1  -0.909765D+01 -0.358276D+01 -0.399359D+02 -0.304352D+02 -0.445062D+01
      2   0.689660D+01 -0.149413D+01  0.276102D+02  0.357854D+01  0.509275D+01
      3   0.220105D+01  0.507689D+01  0.123258D+02  0.268567D+02 -0.642126D+00
      4  -0.255051D+02 -0.407232D-01 -0.518077D+02  0.247446D+02 -0.138536D+02
      5  -0.596257D+00 -0.112712D+02 -0.459022D+01 -0.144517D+02  0.485538D+00
      6   0.517409D+00  0.176901D+01 -0.114023D+01  0.475160D+01 -0.252137D+00
                61            62            63            64            65 
      1  -0.295310D+02 -0.730142D+01 -0.909485D+01 -0.555959D+02  0.140943D+02
      2   0.416646D+01  0.727897D+01  0.124524D+02  0.349370D+02 -0.211210D+01
      3   0.253645D+02  0.224500D-01 -0.335753D+01  0.206589D+02 -0.119822D+02
      4  -0.479365D+01 -0.236721D+02  0.744310D+01  0.157271D+02  0.289355D+02
      5  -0.262818D+02  0.435798D+01  0.392728D+02 -0.244237D+01  0.342177D+01
      6   0.422336D+01 -0.213176D+01 -0.715493D+01  0.593302D+00 -0.209188D+01
                66            67            68            69            70 
      1  -0.355408D+01  0.506879D+02  0.511000D+02  0.382332D-01  0.189758D+02
      2  -0.116387D+01 -0.209022D+02 -0.280852D+02  0.240499D+01 -0.746509D+01
      3   0.471795D+01 -0.297856D+02 -0.230148D+02 -0.244322D+01 -0.115107D+02
      4   0.278455D+01  0.472224D+02 -0.122757D+02  0.179750D+02  0.678918D+01
      5   0.191348D+02  0.841038D+01  0.206662D+02  0.209487D+01  0.363609D+02
      6   0.360982D+01  0.292182D+01  0.479906D+01 -0.662539D+00  0.308323D+01
                71            72            73            74            75 
      1   0.161020D+01  0.368004D+02  0.545538D+02 -0.565324D+01 -0.674964D+01
      2   0.413452D+01 -0.957563D+01 -0.373839D+02 -0.911237D+01 -0.890155D+00
      3  -0.574472D+01 -0.272248D+02 -0.171699D+02  0.147656D+02  0.763980D+01
      4   0.231601D+02  0.511186D+01 -0.264618D+01 -0.315869D+02 -0.763691D+01
      5   0.422496D+01 -0.570049D+02 -0.625547D+01 -0.568778D+01 -0.137470D+02
      6   0.432806D+01 -0.733760D+01 -0.676606D+01 -0.252761D+01 -0.995589D+01
                76            77            78            79            80 
      1  -0.899461D+01 -0.324528D+02  0.414152D+01 -0.111209D+02  0.357763D+01
      2  -0.891017D+01  0.116696D+02 -0.131333D+02 -0.229503D+01 -0.166546D+02
      3   0.179048D+02  0.207831D+02  0.899183D+01  0.134159D+02  0.130769D+02
      4  -0.372183D+02 -0.153998D+02 -0.223558D+02 -0.830913D+01 -0.315543D+02
      5  -0.664669D+01 -0.221378D+02 -0.772238D+01 -0.216281D+02 -0.145542D+02
      6  -0.557531D+01 -0.179827D+02 -0.449334D+01 -0.115634D+02 -0.917977D+01
                81            82            83            84            85 
      1  -0.960897D+01  0.609459D+02 -0.174532D+02 -0.261663D+01 -0.297396D+02
      2   0.914140D+01 -0.327434D+02  0.801825D+01 -0.338585D-01  0.134210D+02
      3   0.467569D+00 -0.282025D+02  0.943491D+01  0.265049D+01  0.163186D+02
      4  -0.199383D+02 -0.203146D+02 -0.403403D+02 -0.591849D+01 -0.633990D+02
      5   0.415054D+02 -0.591445D+01 -0.654026D+01 -0.345031D+02 -0.112119D+02
      6   0.209502D+02 -0.179959D+01 -0.539303D+01 -0.218549D+01 -0.102630D+02
                86            87            88            89            90 
      1  -0.553807D+02 -0.652096D+01 -0.130095D+02 -0.565902D+01 -0.467126D+02
      2   0.276155D+02  0.197834D+01  0.288851D+01  0.147802D+01  0.254519D+02
      3   0.277652D+02  0.454262D+01  0.101210D+02  0.418100D+01  0.212607D+02
      4   0.202251D+02 -0.443056D+02 -0.981871D+01 -0.424065D+02 -0.429715D+01
      5  -0.477080D+02 -0.348442D+01 -0.551121D+02 -0.305807D+01  0.493391D+02
      6   0.788713D-01 -0.581084D+01 -0.370138D+01 -0.603589D+01  0.173307D+01
                91            92            93            94            95 
      1   0.773836D+01 -0.261150D+01 -0.640086D+01 -0.526840D+01 -0.175222D+02
      2  -0.559436D+01 -0.166287D+01  0.935743D+00  0.549010D+01  0.940199D+01
      3  -0.214400D+01  0.427437D+01  0.546512D+01 -0.221696D+00  0.812024D+01
      4  -0.137674D+02 -0.174879D+02 -0.478706D+01 -0.375478D+02  0.166995D+02
      5  -0.164034D+02 -0.319690D+01 -0.119425D+02 -0.110298D+02 -0.582369D+01
      6  -0.398795D+00 -0.588371D+01 -0.683642D+01 -0.211878D+01  0.190443D+01
                96            97            98            99           100 
      1  -0.701866D+01 -0.185067D+02 -0.758019D+01 -0.525123D+01  0.749564D+01
      2   0.308201D+01  0.365211D+01 -0.132892D+01  0.596741D+01 -0.225915D+01
      3   0.393664D+01  0.148546D+02  0.890912D+01 -0.716187D+00 -0.523649D+01
      4  -0.583224D+01 -0.188254D+02 -0.685645D+01 -0.236413D+02  0.831054D+01
      5  -0.204958D+02 -0.210753D+02 -0.222263D+02  0.222681D+02  0.120418D+02
      6  -0.403298D+01 -0.999033D+01 -0.608444D+01  0.771958D+01 -0.539877D+01
               101           102           103           104           105 
      1   0.185584D+01  0.452425D+01  0.113821D+02  0.692783D+01  0.927879D+00
      2  -0.731812D-01 -0.316327D+01 -0.112899D+02 -0.170324D+01  0.359069D+01
      3  -0.178266D+01 -0.136098D+01 -0.921628D-01 -0.522459D+01 -0.451857D+01
      4   0.273734D+01 -0.430928D+01 -0.965019D-01 -0.113187D+02  0.966837D+01
      5  -0.543514D+01 -0.373146D+01 -0.117519D+02  0.115559D+02  0.306180D+02
      6   0.388400D+01  0.734383D+01  0.532432D+01 -0.103553D+02 -0.178343D+02
               106           107           108           109           110 
      1   0.161520D+02 -0.402794D+00 -0.704389D+00  0.210774D+02 -0.146379D+02
      2  -0.334316D+01 -0.518702D+01  0.280148D+01 -0.128027D+02  0.675651D+01
      3  -0.128088D+02  0.558982D+01 -0.209709D+01 -0.827471D+01  0.788142D+01
      4  -0.997729D+01  0.200288D+02  0.250268D+02 -0.205389D+02  0.172938D+02
      5  -0.201988D+02  0.257058D+02  0.194004D+02 -0.301552D+02  0.984966D+01
      6   0.129376D+02 -0.203014D+02 -0.130727D+02  0.113345D+02 -0.317306D+01
               111           112           113           114           115 
      1  -0.227306D+02 -0.125680D+02 -0.687565D+01 -0.594946D+01 -0.260247D+02
      2   0.144352D+02  0.343497D+01  0.154484D+02  0.456384D+01  0.166785D+02
      3   0.829536D+01  0.913305D+01 -0.857275D+01  0.138562D+01  0.934628D+01
      4   0.125218D+02  0.274981D+02 -0.333138D+02 -0.251231D+02  0.229253D+02
      5   0.221836D+02  0.179246D+02 -0.272155D+02 -0.280021D+02  0.370994D+02
      6  -0.546036D+01 -0.823059D+01  0.238373D+02  0.260282D+02 -0.139382D+02
               116           117           118           119           120 
      1  -0.489379D+01 -0.454652D+01  0.686795D+01 -0.369472D+01  0.122692D+02
      2   0.505507D+01 -0.152714D+02 -0.657032D+01  0.768462D+01 -0.808839D+01
      3  -0.161280D+00  0.198179D+02 -0.297635D+00 -0.398990D+01 -0.418080D+01
      4  -0.297574D+02 -0.266356D+02  0.114555D+01 -0.760354D+01 -0.315783D+01
      5  -0.295200D+02 -0.686089D+02  0.110170D+02  0.110184D+01  0.727568D+01
      6   0.262646D+02  0.358700D+02 -0.391097D+01 -0.167784D+01 -0.137431D+01
               121           122           123           124           125 
      1   0.209476D+01 -0.598467D+01  0.365124D+01  0.155083D+02  0.147762D+01
      2   0.780849D+01 -0.125996D+02 -0.141987D+01 -0.871422D+01 -0.288018D+01
      3  -0.990325D+01  0.185842D+02 -0.223137D+01 -0.679406D+01  0.140256D+01
      4  -0.161240D+02  0.421111D+02  0.198795D+01 -0.948535D+01  0.126676D+02
      5   0.116869D+01  0.171401D+01 -0.154286D+01  0.166431D+02 -0.110672D+02
      6  -0.352105D+01  0.219748D+01  0.719926D+01 -0.431576D+01  0.129853D+02
               126           127           128           129           130 
      1  -0.120639D+01 -0.659274D+00 -0.216005D+00  0.344812D+01 -0.295107D+01
      2  -0.689489D+01 -0.567504D+01 -0.120001D+01  0.555628D+01 -0.600313D+00
      3   0.810128D+01  0.633432D+01  0.141602D+01 -0.900440D+01  0.355138D+01
      4  -0.103935D+02  0.569355D+00  0.222530D+01 -0.742833D+00  0.105643D+01
      5   0.308049D+02 -0.970401D+01 -0.259818D+01  0.121077D+02 -0.292377D+01
      6  -0.165161D+02  0.269333D+00 -0.184999D+01 -0.643537D+00 -0.117693D+01
               131           132           133           134           135 
      1  -0.359390D+01  0.755084D+01  0.383745D+01  0.454269D+01 -0.242681D+02
      2  -0.623341D+00  0.314587D+01  0.683159D+01  0.194135D+01 -0.149286D+02
      3   0.421724D+01 -0.106967D+02 -0.106690D+02 -0.648404D+01  0.391968D+02
      4   0.104995D+01 -0.144109D+01 -0.211989D+01 -0.340256D+01  0.168316D+01
      5  -0.287818D+01  0.445886D+01  0.122318D+02  0.406660D+01 -0.196813D+02
      6  -0.295092D+01  0.214735D+01  0.909300D+00  0.544693D+01 -0.226649D+01
               136           137           138           139           140 
      1   0.572781D+01 -0.781734D-01 -0.103968D+01  0.502641D+00 -0.122932D+01
      2  -0.687342D+01  0.937168D+00 -0.481556D+01  0.204918D+01 -0.688232D+00
      3   0.114562D+01 -0.858994D+00  0.585524D+01 -0.255182D+01  0.191755D+01
      4  -0.174622D+01  0.425852D+01 -0.108507D+01  0.359393D+01 -0.343733D+01
      5   0.130687D+02 -0.291768D+01  0.107794D+02 -0.470995D+01  0.340787D+01
      6  -0.353859D+00  0.195323D+01 -0.742099D+00  0.117362D+01 -0.291956D+01
               141           142           143           144           145 
      1   0.496699D+01 -0.395037D+01  0.406533D+01 -0.130608D+02 -0.273301D+01
      2   0.264286D+01 -0.607188D+01  0.126318D+01 -0.941320D+01 -0.271754D+01
      3  -0.760986D+01  0.100222D+02 -0.532851D+01  0.224740D+02  0.545055D+01
      4   0.150008D+01 -0.151682D+01  0.292170D+01 -0.234445D+01  0.552366D+01
      5  -0.602852D+01  0.132908D+02 -0.430430D+01  0.169804D+02 -0.930357D+01
      6   0.200729D+01 -0.168509D+01  0.470452D+01 -0.341848D+01 -0.606409D+01
               146           147           148           149           150 
      1  -0.197583D+01  0.542781D+01 -0.273477D+01 -0.481244D+01  0.864395D+01
      2   0.552333D+00  0.275786D+01 -0.454223D+00  0.779119D+00  0.345719D+00
      3   0.142349D+01 -0.818567D+01  0.318899D+01  0.403332D+01 -0.898967D+01
      4   0.389267D+01 -0.545051D+01  0.245449D+01  0.194052D+01 -0.303693D+01
      5  -0.355753D+01  0.118060D+02 -0.359792D+01 -0.285417D+01  0.438365D+01
      6  -0.371765D+01  0.632396D+01 -0.327156D+01 -0.532681D+01  0.886894D+01
               151           152           153           154           155 
      1   0.775424D+01  0.107734D+02 -0.292150D+02  0.223817D+01  0.245641D+01
      2   0.208711D+01 -0.301057D+01 -0.551304D+01 -0.335272D+01 -0.226147D+01
      3  -0.984134D+01 -0.776283D+01  0.347280D+02  0.111455D+01 -0.194935D+00
      4  -0.570567D+01 -0.535532D+01  0.801329D+01 -0.103455D+02  0.714882D+01
      5   0.110073D+02  0.533599D+01 -0.176069D+02  0.156176D+02 -0.573994D+01
      6   0.860111D+01  0.126707D+02 -0.233045D+02 -0.906003D+01  0.574627D+01
               156           157           158           159           160 
      1  -0.191792D+01  0.497376D+00 -0.369176D+01  0.561417D+01 -0.420322D+01
      2  -0.247808D+01  0.800410D+00  0.176428D+01 -0.617362D-02 -0.275572D+01
      3   0.439600D+01 -0.129779D+01  0.192748D+01 -0.560800D+01  0.695894D+01
      4  -0.817277D+01  0.518650D+01 -0.535756D+01  0.569715D+01 -0.869029D+01
      5   0.140965D+02 -0.698514D+01  0.502889D+01 -0.769049D+01  0.153874D+02
      6  -0.869423D+01  0.531554D+01 -0.611796D+01  0.851998D+01 -0.104708D+02
               161           162           163           164           165 
      1   0.812863D+01 -0.162856D+02  0.723730D+01 -0.326841D-01 -0.827109D+01
      2  -0.343187D+01 -0.300360D+01 -0.783698D+01 -0.444112D+00  0.694457D+01
      3  -0.469677D+01  0.192892D+02  0.599687D+00  0.476796D+00  0.132652D+01
      4   0.723541D+01 -0.108211D+02 -0.234489D+01  0.708037D+01  0.427441D+01
      5  -0.765418D+01  0.209123D+02 -0.147604D+02  0.270845D+01  0.152956D+02
      6   0.116388D+02 -0.188803D+02  0.240939D+01 -0.141333D+01 -0.229227D+01
               166           167           168           169           170 
      1   0.762747D+01  0.187375D+01 -0.200085D+01 -0.148599D+02 -0.295712D+01
      2  -0.496576D+01 -0.733357D+00  0.128259D+01  0.135284D+02  0.333032D+00
      3  -0.266171D+01 -0.114039D+01  0.718260D+00  0.133159D+01  0.262409D+01
      4   0.783476D+01 -0.446485D+01 -0.494301D+01  0.587810D+01 -0.829242D+01
      5  -0.494663D+00 -0.518066D+01  0.734737D+00  0.226937D+02 -0.855681D+01
      6  -0.163083D+01  0.150472D+01  0.539269D+01 -0.529972D+01  0.657470D+01
               171           172           173           174           175 
      1  -0.458891D+01  0.211802D+02 -0.940159D+01  0.412371D+01 -0.140067D+02
      2  -0.138066D+02 -0.387050D+01 -0.351527D+00 -0.987327D+00 -0.306974D+01
      3   0.183955D+02 -0.173097D+02  0.975312D+01 -0.313639D+01  0.170764D+02
      4  -0.115212D+02 -0.221930D+02  0.243883D+02 -0.215435D+01  0.352272D+02
      5  -0.453552D+02  0.538762D+01 -0.927537D+00  0.524460D+01 -0.171668D+01
      6   0.122944D+02 -0.149156D+01  0.860992D-01 -0.131133D+01  0.966344D+00
               176           177           178           179           180 
      1   0.394427D+00  0.468223D+00  0.189172D+02  0.108529D+01  0.192409D+01
      2   0.214402D+02 -0.284056D+01 -0.547937D+01 -0.475384D+01 -0.324305D+00
      3  -0.218346D+02  0.237234D+01 -0.134378D+02  0.366856D+01 -0.159978D+01
      4  -0.525506D+02  0.718013D+01 -0.954538D+01  0.166296D+02 -0.946677D+01
      5   0.657610D+01 -0.575359D+01  0.976756D+01 -0.816307D+01  0.268046D+01
      6  -0.213506D+01  0.472281D+01 -0.375091D+01  0.579059D+01 -0.239999D+01
               181           182           183           184           185 
      1  -0.125466D+01 -0.219317D+01  0.123302D+02 -0.713744D+01 -0.116128D+02
      2  -0.339720D+01  0.461539D-01 -0.347516D+01  0.274620D+01  0.517018D+01
      3   0.465187D+01  0.214702D+01 -0.885501D+01  0.439124D+01  0.644261D+01
      4  -0.399796D+01 -0.385628D+01  0.272353D+00 -0.322479D+01  0.110491D+01
      5   0.808284D+01 -0.139944D+00 -0.231551D+01  0.100386D+01  0.464648D+01
      6   0.162925D+01  0.961961D-01 -0.160633D+01 -0.485370D+00  0.315638D+00
               186           187           188           189           190 
      1  -0.405243D+00  0.208010D+02 -0.467201D+00 -0.252157D+02 -0.564435D+02
      2   0.940480D+00 -0.873582D+01  0.110452D+01 -0.877836D+01  0.328093D+02
      3  -0.535236D+00 -0.120652D+02 -0.637321D+00  0.339940D+02  0.236342D+02
      4   0.420737D+01  0.167836D+01  0.573443D+01 -0.182444D+01 -0.178813D+02
      5  -0.648854D-01 -0.116329D+01 -0.355246D+00  0.516592D+02  0.288166D+01
      6   0.688658D+01 -0.401550D+00  0.355371D+01  0.721766D+01  0.258732D+01
               191           192           193           194           195 
      1   0.143985D+02  0.214481D+01  0.633033D+01 -0.102906D+02 -0.819662D+00
      2  -0.144038D+02 -0.804856D+00 -0.743731D+01  0.952141D+01  0.179440D+01
      3   0.530744D-02 -0.133995D+01  0.110697D+01  0.769150D+00 -0.974735D+00
      4  -0.336337D+01  0.233350D+01  0.160742D+01 -0.629594D+00  0.242277D+01
      5   0.120229D+01 -0.141639D+01  0.394794D-01  0.281549D+01  0.722084D+00
      6   0.430774D+00 -0.338712D+01  0.901661D+00  0.152964D+01  0.204314D+01
               196           197           198           199           200 
      1   0.368670D+01 -0.255138D+01 -0.566850D+01  0.206039D+01  0.212658D+01
      2  -0.117365D+01  0.347459D+01  0.223407D+01 -0.173286D+01  0.139670D+01
      3  -0.251305D+01 -0.923216D+00  0.343444D+01 -0.327536D+00 -0.352328D+01
      4   0.125255D+01  0.412462D+01  0.184180D+01  0.618785D+01  0.960156D+01
      5   0.108481D+01  0.296961D+01 -0.336094D+01 -0.109887D+02 -0.346068D+01
      6  -0.230964D+01  0.362808D+01 -0.142920D+01 -0.425559D+01 -0.203526D+01
               201           202           203           204           205 
      1  -0.767601D+01 -0.523755D+00 -0.123486D+00  0.294193D+01 -0.111946D+02
      2   0.589371D+01  0.244430D+01  0.168791D+01 -0.293986D+01  0.807477D+01
      3   0.178231D+01 -0.192054D+01 -0.156443D+01 -0.207114D-02  0.311983D+01
      4  -0.568923D+01  0.680529D+01  0.730481D+01 -0.566615D+01 -0.885334D+01
      5   0.144231D+02 -0.605164D+00 -0.607047D+01  0.348089D+01  0.163575D+02
      6   0.564606D+01 -0.165782D+01 -0.350525D+01  0.788455D+01  0.767483D+01
               206           207           208           209           210 
      1   0.558616D+01 -0.645729D+01  0.128969D+02  0.100853D+02  0.558649D+01
      2  -0.524736D+01 -0.904923D+01  0.274274D+01  0.766286D+01 -0.119114D+00
      3  -0.338800D+00  0.155065D+02 -0.156397D+02 -0.177481D+02 -0.546738D+01
      4  -0.132906D+02  0.170886D+02  0.272635D+02  0.339564D+02  0.846683D+01
      5   0.145526D+02 -0.510468D+02  0.803402D+01  0.593836D+01  0.904807D+01
      6   0.128129D+02 -0.293851D+02  0.525468D+01  0.466338D+01  0.620021D+01
               211           212           213           214           215 
      1   0.926153D+01 -0.350664D+01 -0.132760D+01  0.919678D+01 -0.254709D+01
      2   0.900753D+01  0.338513D+02  0.856625D+01 -0.115375D+00  0.130536D+02
      3  -0.182691D+02 -0.303447D+02 -0.723865D+01 -0.908140D+01 -0.105065D+02
      4   0.345961D+02  0.594451D+02  0.161647D+02  0.157730D+02  0.275222D+02
      5   0.685370D+01  0.145970D+02  0.106576D+02  0.115995D+02  0.145656D+02
      6   0.581287D+01  0.131785D+02  0.102943D+02  0.778877D+01  0.129427D+02
               216           217           218           219           220 
      1   0.118586D+01  0.287200D+02  0.107332D+01 -0.213517D+02  0.323184D+01
      2   0.271433D+01 -0.167459D+02 -0.303023D+00  0.120887D+02 -0.122325D+01
      3  -0.390019D+01 -0.119742D+02 -0.770302D+00  0.926295D+01 -0.200858D+01
      4   0.165452D+02  0.209945D+01  0.888519D+01  0.374207D+00  0.156280D+02
      5   0.922750D+01 -0.224358D+02  0.870703D+00  0.248662D+02  0.418619D+00
      6   0.836863D+01 -0.509867D+00  0.218352D+00  0.495646D+00 -0.805406D+00
               221           222           223           224           225 
      1   0.112789D+02  0.919660D+00 -0.485129D+02  0.188596D+01  0.304143D+02
      2  -0.570518D+01 -0.823940D+00  0.284460D+02 -0.157245D+01 -0.238965D+02
      3  -0.557370D+01 -0.957207D-01  0.200669D+02 -0.313503D+00 -0.651782D+01
      4  -0.170581D+01 -0.525297D+01  0.793017D-01 -0.106294D+02  0.828349D+00
      5  -0.505050D+01  0.809488D+00  0.437043D+02 -0.191919D+00 -0.712101D+02
      6  -0.569606D+00  0.423376D+01  0.180710D+01  0.421738D+01 -0.240691D+01
               226           227           228           229           230 
      1   0.260602D+02 -0.212754D+02  0.107970D+02 -0.425523D+02  0.300969D+02
      2  -0.126561D+02  0.102260D+02 -0.588089D+01  0.209131D+02 -0.101175D+02
      3  -0.134041D+02  0.110494D+02 -0.491607D+01  0.216392D+02 -0.199794D+02
      4  -0.220263D+02  0.244752D+02 -0.732882D+01  0.412259D+02 -0.646448D+02
      5   0.127097D+02 -0.822509D+01  0.122051D+02 -0.149910D+02  0.251402D+02
      6  -0.273595D+01  0.215904D+01 -0.104332D+01  0.471578D+01 -0.752738D+01
               231           232           233           234           235 
      1  -0.906431D+01  0.207353D+02 -0.777234D+01  0.143726D+02  0.585272D+02
      2   0.575634D+01 -0.117604D+02  0.510225D+01 -0.104009D+02 -0.282496D+02
      3   0.330797D+01 -0.897489D+01  0.267010D+01 -0.397167D+01 -0.302776D+02
      4   0.234808D+02 -0.117137D+02  0.246837D+02 -0.154757D+02  0.339029D+02
      5  -0.195407D+02  0.221901D+02 -0.168049D+02  0.148159D+02  0.247346D+02
      6   0.609053D+01 -0.243208D+01  0.634979D+01 -0.438620D+01  0.551469D+01
               236           237           238           239           240 
      1   0.279182D+02  0.194669D+02  0.554058D+02  0.306110D+02  0.134162D+02
      2  -0.123831D+02 -0.104917D+02 -0.244173D+02 -0.888767D+01 -0.668005D+01
      3  -0.155350D+02 -0.897517D+01 -0.309885D+02 -0.217234D+02 -0.673611D+01
      4   0.279793D+02  0.120172D+02  0.472881D+02  0.447583D+02  0.229929D+02
      5   0.125070D+02  0.201317D+02  0.224548D+02  0.237825D+02  0.212357D+02
      6   0.326698D+01  0.302444D+01  0.729462D+01  0.777374D+01  0.694388D+01
               241           242           243           244           245 
      1   0.351609D+02  0.113165D+02  0.211637D+02  0.231881D+01  0.386923D+01
      2  -0.190936D+02 -0.555696D+01 -0.139040D+02 -0.373029D+01 -0.207935D+01
      3  -0.160673D+02 -0.575953D+01 -0.725970D+01  0.141147D+01 -0.178988D+01
      4   0.189617D+02  0.240773D+02  0.169692D+02  0.662070D+01  0.726057D+01
      5   0.331699D+02  0.174689D+02  0.215298D+02 -0.115120D+02 -0.297154D+01
      6   0.604214D+01  0.700443D+01  0.622397D+01 -0.474969D+01 -0.767821D+00
               246           247           248           249           250 
      1  -0.638010D+01  0.438005D+01 -0.829962D-01  0.201987D+01 -0.818471D+01
      2   0.470016D+01 -0.200438D+01  0.126224D+01 -0.148404D+01  0.739051D+01
      3   0.167994D+01 -0.237567D+01 -0.117924D+01 -0.535828D+00  0.794197D+00
      4  -0.397961D+01  0.109352D+02  0.738310D+01 -0.829094D+01 -0.606804D+01
      5   0.123766D+02 -0.385474D+01 -0.846983D+01  0.113467D+02  0.165498D+02
      6   0.271130D+01 -0.227310D+01 -0.632583D+01  0.832398D+01  0.438423D+01
               251           252           253           254           255 
      1   0.230281D+01 -0.437105D+01 -0.880515D+02 -0.910032D+01  0.696483D+01
      2   0.552618D+00 -0.916348D+01  0.436428D+02  0.134052D+02 -0.495743D+01
      3  -0.285543D+01  0.135345D+02  0.444088D+02 -0.430488D+01 -0.200739D+01
      4  -0.107457D+02  0.113400D+02 -0.142244D+02  0.253599D+02  0.108705D+02
      5   0.101186D+02 -0.359180D+02  0.103224D+02  0.782590D+01  0.143671D+02
      6   0.786026D+01 -0.133548D+02  0.849022D+01  0.653992D+01  0.534008D+01
               256           257           258           259           260 
      1   0.105608D+02  0.370760D+02  0.296563D+01  0.278681D+02  0.350789D+01
      2  -0.646713D+00 -0.400399D+02 -0.719946D+01 -0.120564D+02 -0.332738D+01
      3  -0.991411D+01  0.296391D+01  0.423384D+01 -0.158116D+02 -0.180504D+00
      4   0.280299D+02 -0.264305D+02  0.582469D+01  0.206752D+02  0.150627D+02
      5   0.120431D+02  0.872792D+01  0.190056D+02  0.206534D+02  0.207998D+02
      6   0.694125D+01 -0.408091D+01  0.638693D+01  0.901564D+01  0.854602D+01
               261           262           263           264           265 
      1   0.158252D+02  0.791565D+01 -0.866127D+01  0.255755D+01 -0.799856D+01
      2   0.623476D+01  0.118880D+01 -0.929526D+00 -0.208046D+00 -0.719168D+01
      3  -0.220600D+02 -0.910445D+01  0.959080D+01 -0.234950D+01  0.151902D+02
      4   0.243301D+02 -0.147893D+02  0.183811D+02 -0.391745D+01  0.287959D+02
      5  -0.192595D+02  0.520118D+01 -0.428131D+01  0.375749D+01 -0.726865D+01
      6  -0.294374D+01 -0.319426D+01  0.310536D+01 -0.149264D+01  0.553047D+01
               266           267           268           269           270 
      1  -0.228692D+01  0.103364D+00  0.287021D+00  0.120963D+01 -0.402966D+00
      2   0.295211D+02 -0.460191D+01 -0.186235D+01  0.299573D+01  0.126321D+01
      3  -0.272342D+02  0.449855D+01  0.157533D+01 -0.420536D+01 -0.860246D+00
      4  -0.595106D+02  0.118701D+02  0.195201D+01 -0.350936D+01 -0.424235D+01
      5   0.128654D+02 -0.102770D+02  0.321155D+01 -0.423592D+01  0.401330D+01
      6  -0.127961D+02  0.713859D+01 -0.177319D+01  0.426580D+01 -0.258883D+01
               271           272           273           274           275 
      1   0.523534D+01 -0.618814D+00  0.627200D+01 -0.737283D+01 -0.670333D+01
      2  -0.604153D+01 -0.110335D+01 -0.229722D+01  0.336757D+01  0.294504D+01
      3   0.806193D+00  0.172216D+01 -0.397477D+01  0.400526D+01  0.375829D+01
      4  -0.198773D+01 -0.370597D+01  0.651917D-01 -0.386375D+01 -0.431636D+01
      5   0.384183D+01 -0.163905D+01  0.630905D-01 -0.442360D+01  0.387576D+01
      6  -0.306483D+00 -0.156659D+01 -0.112627D+01 -0.988616D+00 -0.476255D+00
               276           277           278           279           280 
      1  -0.289863D+00  0.103670D+02 -0.831883D-01 -0.122997D+02  0.134000D+03
      2   0.518889D+01 -0.678889D+01  0.441183D+01 -0.161084D+02 -0.634013D+02
      3  -0.489902D+01 -0.357807D+01 -0.432864D+01  0.284081D+02 -0.705991D+02
      4   0.431561D+01  0.440714D+01  0.836802D+01 -0.416589D+01  0.445939D+02
      5  -0.990421D+01  0.100509D+02 -0.303770D+01  0.446828D+02  0.113512D+02
      6   0.106264D+01  0.149399D+01  0.354476D+01  0.128476D+02 -0.404839D+00
               281           282           283           284           285 
      1   0.119877D+02 -0.640175D+00 -0.400257D+01  0.800190D+01 -0.180543D+00
      2  -0.235191D+01 -0.640594D+00  0.515693D+01 -0.354293D+00  0.540147D+00
      3  -0.963576D+01  0.128077D+01 -0.115436D+01 -0.764761D+01 -0.359604D+00
      4   0.186350D+02  0.109929D+01  0.143440D+02  0.743138D+01 -0.104953D+01
      5   0.182513D+01  0.132548D+02 -0.108146D+01 -0.657683D+00 -0.220349D+01
      6   0.179418D+01  0.376128D+01  0.690512D+00  0.529258D+00  0.208263D+00
               286           287           288           289           290 
      1  -0.156477D+02 -0.165288D+01  0.954963D+01  0.822614D+00  0.148516D+02
      2   0.606004D+01 -0.959891D-01 -0.699714D+01  0.323070D+01 -0.146552D+02
      3   0.958763D+01  0.174886D+01 -0.255249D+01 -0.405331D+01 -0.196443D+00
      4  -0.681958D+01 -0.481328D+01  0.139135D+01  0.483230D+01 -0.667130D+01
      5   0.130067D+02 -0.560960D+00 -0.213175D+00 -0.196132D+01 -0.542522D+00
      6   0.345243D+01  0.638333D+00 -0.506523D+00  0.507284D-02 -0.296942D+01
               291           292           293           294           295 
      1   0.344881D+00  0.116082D+02 -0.339141D+02 -0.316523D+01 -0.413642D+01
      2  -0.315882D+00 -0.466211D+01  0.554745D+02  0.343085D+01  0.133690D+01
      3  -0.289991D-01 -0.694604D+01 -0.215604D+02 -0.265617D+00  0.279952D+01
      4  -0.231051D+01  0.103492D+02  0.601742D+02  0.617550D+01 -0.306917D+01
      5  -0.291884D+01  0.290466D+01  0.344749D+01  0.689859D+01 -0.418348D+00
      6  -0.259811D+01  0.380315D+00  0.122062D+02  0.764731D+01 -0.567485D+00
               296           297 
      1  -0.130051D+01 -0.639349D+01
      2  -0.127682D+01  0.461278D+01
      3   0.257733D+01  0.178070D+01
      4  -0.341085D+01  0.403326D+01
      5   0.503716D+01  0.254824D+01
      6   0.712989D+01  0.156783D+01
 Leave Link  716 at Wed Sep  8 17:22:28 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220678D+03 -0.157391D+01 -0.507287D+00
      2  -0.157391D+01  0.139115D+03 -0.674226D+01
      3  -0.507287D+00 -0.674226D+01  0.152890D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.169182D+01 -0.766751D+01  0.227652D+02
      2   0.113987D+02 -0.835908D+01  0.343817D+02
      3  -0.106003D+03 -0.477562D+02  0.108344D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.261435D+03  0.453264D+02  0.408500D+01
      2  -0.135259D+03 -0.286005D+02  0.213691D+02
      3  -0.126176D+03 -0.167259D+02 -0.254541D+02
      4  -0.348889D+02  0.854324D+02 -0.252469D+02
      5  -0.353117D+00 -0.272080D+02  0.680753D+02
      6  -0.124882D+02  0.149687D+02 -0.336122D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.114523D+02  0.214308D+00  0.974452D+00  0.547443D+01  0.207753D+01
      2   0.214308D+00  0.122561D+01  0.273405D+00  0.207753D+01  0.194462D+01
      3   0.974452D+00  0.273405D+00  0.155732D+01 -0.520714D-01 -0.276122D+01
                 6             7             8             9            10 
      1  -0.520714D-01 -0.987793D+01  0.384398D+00 -0.431194D+00  0.294785D+02
      2  -0.276122D+01  0.384398D+00 -0.149715D+01 -0.111950D+01  0.147451D+01
      3  -0.220111D+01 -0.431194D+00 -0.111950D+01 -0.166028D+01 -0.999054D+00
                11            12            13            14            15 
      1   0.147451D+01 -0.999054D+00 -0.641238D+00  0.450886D+01  0.116181D+01
      2   0.215360D+01 -0.613455D+00  0.450886D+01 -0.772742D+00 -0.654657D-01
      3  -0.613455D+00  0.283239D+01  0.116181D+01 -0.654657D-01 -0.592962D+00
                16            17            18            19            20 
      1  -0.265928D+01  0.107526D+01  0.115397D+01  0.870586D+01 -0.305483D+00
      2   0.107526D+01  0.507801D+00 -0.842902D+00 -0.305483D+00 -0.122104D+01
      3   0.115397D+01 -0.842902D+00 -0.636206D+00 -0.715386D+00 -0.525174D+00
                21            22            23            24            25 
      1  -0.715386D+00  0.390872D+01 -0.149287D+01 -0.107755D+01 -0.121608D+02
      2  -0.525174D+00 -0.149287D+01  0.236932D+01 -0.221785D+01 -0.201724D+00
      3  -0.294258D+01 -0.107755D+01 -0.221785D+01 -0.137027D+01  0.745844D+00
                26            27            28            29            30 
      1  -0.201724D+00  0.745844D+00 -0.265852D+02 -0.149317D+00  0.739336D+00
      2  -0.102975D+01 -0.849944D+00 -0.149317D+00 -0.182967D+01  0.254707D+00
      3  -0.849944D+00 -0.148363D+01  0.739336D+00  0.254707D+00 -0.281190D+01
                31            32            33            34            35 
      1   0.202927D+01 -0.460912D+01 -0.140506D+01  0.264301D+01 -0.120267D+01
      2  -0.460912D+01  0.420887D+00  0.424311D+00 -0.120267D+01 -0.242545D-01
      3  -0.140506D+01  0.424311D+00 -0.619327D-01 -0.785915D+00 -0.101980D+01
                36            37            38            39            40 
      1  -0.785915D+00  0.118704D+02 -0.299821D+00 -0.906556D+00 -0.359063D+01
      2  -0.101980D+01 -0.299821D+00 -0.253123D+01  0.125098D+01 -0.156509D+01
      3   0.462764D+00 -0.906556D+00  0.125098D+01 -0.179904D+01 -0.416763D+00
                41            42            43            44            45 
      1  -0.156509D+01 -0.416763D+00  0.103608D+02 -0.149672D+01  0.273953D+00
      2  -0.274174D+01  0.239872D+01 -0.149672D+01  0.131868D+01  0.139969D+01
      3   0.239872D+01  0.187430D+01  0.273953D+00  0.139969D+01  0.159569D+01
                46            47            48            49            50 
      1  -0.881286D+01  0.310930D+00  0.464155D+00 -0.273607D+01  0.105895D+01
      2   0.310930D+00  0.219958D+01 -0.754885D+00  0.105895D+01 -0.330185D+01
      3   0.464155D+00 -0.754885D+00  0.282533D+01  0.135722D+01  0.205360D+01
                51            52            53            54            55 
      1   0.135722D+01  0.118514D+02  0.145601D+01 -0.104668D+01 -0.144507D+02
      2   0.205360D+01  0.145601D+01  0.777037D-01  0.151427D+01 -0.201493D+01
      3   0.111092D+01 -0.104668D+01  0.151427D+01  0.827426D+00 -0.423569D+00
                56            57            58            59            60 
      1  -0.201493D+01 -0.423569D+00 -0.596666D+01 -0.745550D+01 -0.566217D+00
      2  -0.362877D+01 -0.142653D+00 -0.745550D+01  0.226931D+01 -0.186397D+01
      3  -0.142653D+00 -0.146215D+01 -0.566217D+00 -0.186397D+01 -0.160011D-01
                61            62            63            64            65 
      1  -0.566491D+01 -0.127270D+01 -0.327868D+01 -0.176165D+01  0.293392D+01
      2  -0.127270D+01 -0.333735D+01  0.613517D+00  0.293392D+01  0.393818D+01
      3  -0.327868D+01  0.613517D+00  0.530866D+01 -0.938483D-01  0.392299D+00
                66            67            68            69            70 
      1  -0.938483D-01  0.106899D+02  0.668147D+01  0.859287D+00  0.549824D+01
      2   0.392299D+00  0.668147D+01 -0.152007D+01  0.238627D+01  0.138197D+01
      3   0.260372D+01  0.859287D+00  0.238627D+01  0.481709D+00  0.395995D+01
                71            72            73            74            75 
      1   0.138197D+01  0.395995D+01  0.639846D+01 -0.255383D+01 -0.105364D+01
      2   0.340662D+01  0.598632D+00 -0.255383D+01 -0.377205D+01 -0.650315D+00
      3   0.598632D+00 -0.739627D+01 -0.105364D+01 -0.650315D+00 -0.200247D+01
                76            77            78            79            80 
      1  -0.357717D+01 -0.416007D+01 -0.951608D+00 -0.204171D+01 -0.936361D+00
      2  -0.416007D+01 -0.396592D+00 -0.309627D+01 -0.936361D+00 -0.421584D+01
      3  -0.951608D+00 -0.309627D+01 -0.107370D+01 -0.278335D+01 -0.191435D+01
                81            82            83            84            85 
      1  -0.278335D+01  0.546909D+01 -0.174016D+01 -0.383943D+00 -0.369135D+01
      2  -0.191435D+01 -0.174016D+01 -0.357951D+01 -0.530528D+00 -0.580938D+01
      3   0.551083D+01 -0.383943D+00 -0.530528D+00 -0.300671D+01 -0.900682D+00
                86            87            88            89            90 
      1  -0.580938D+01 -0.900682D+00 -0.178718D+01 -0.878525D+00 -0.469362D+01
      2   0.198302D+01 -0.399722D+01 -0.878525D+00 -0.401851D+01 -0.238748D+00
      3  -0.399722D+01 -0.413980D+00 -0.469362D+01 -0.238748D+00  0.448466D+01
                91            92            93            94            95 
      1   0.480090D+01  0.179039D+01  0.176821D+01 -0.230892D+01  0.551419D+01
      2   0.179039D+01  0.205460D+01  0.432209D+00  0.551419D+01 -0.341533D+01
      3   0.176821D+01  0.432209D+00  0.165293D+01  0.139986D+01  0.507634D+00
                96            97            98            99           100 
      1   0.139986D+01  0.307286D+01  0.193148D+01  0.255735D+01  0.667303D-01
      2   0.507634D+00  0.193148D+01  0.646093D+00  0.281726D+01 -0.764786D+00
      3   0.231913D+01  0.255735D+01  0.281726D+01 -0.322270D+01 -0.143942D+01
               101           102           103           104           105 
      1  -0.764786D+00 -0.143942D+01  0.486820D+00 -0.887946D+00  0.113889D+01
      2  -0.341155D+00  0.738602D+00 -0.887946D+00  0.286941D+01 -0.163878D+01
      3   0.738602D+00  0.412986D+00  0.113889D+01 -0.163878D+01 -0.244245D+01
               106           107           108           109           110 
      1  -0.342548D+01  0.128278D+01  0.111960D+01 -0.255371D+01  0.183197D+01
      2   0.128278D+01 -0.268435D+01 -0.323328D+01  0.183197D+01 -0.864686D+00
      3   0.111960D+01 -0.323328D+01 -0.220906D+01  0.325774D+01 -0.809757D+00
               111           112           113           114           115 
      1   0.325774D+01  0.252544D+01 -0.263408D+01 -0.162556D+01  0.552839D+01
      2  -0.809757D+00 -0.263408D+01  0.442815D+01  0.381237D+01 -0.250424D+01
      3  -0.139258D+01 -0.162556D+01  0.381237D+01  0.315011D+01 -0.314710D+01
               116           117           118           119           120 
      1  -0.250424D+01 -0.314710D+01  0.375501D+00 -0.420915D+00 -0.140859D+01
      2   0.420811D+01  0.397123D+01 -0.420915D+00  0.182555D+01 -0.153678D+00
      3   0.397123D+01  0.881030D+01 -0.140859D+01 -0.153678D+00 -0.757757D-01
               121           122           123           124           125 
      1  -0.146431D+01  0.270636D+01 -0.364380D+00 -0.326461D+01  0.899181D+00
      2   0.270636D+01 -0.592358D+01 -0.356991D+00  0.899181D+00 -0.175195D+01
      3  -0.364380D+00 -0.356991D+00 -0.240184D+00 -0.967220D+00  0.139248D+01
               126           127           128           129           130 
      1  -0.967220D+00  0.212329D+01  0.591905D+00 -0.206700D+01  0.207152D+00
      2   0.139248D+01  0.591905D+00  0.293986D+00 -0.425046D+00  0.112191D+00
      3  -0.396675D+01 -0.206700D+01 -0.425046D+00  0.212036D+01 -0.713683D+00
               131           132           133           134           135 
      1   0.112191D+00 -0.713683D+00 -0.240955D+01 -0.952096D+00  0.271890D+01
      2   0.361446D+00 -0.641652D+00 -0.952096D+00 -0.123926D+01  0.163425D+01
      3  -0.641652D+00  0.217012D+01  0.271890D+01  0.163425D+01 -0.722473D+01
               136           137           138           139           140 
      1  -0.444823D+01  0.103379D+01 -0.217541D+01  0.153958D+01 -0.695098D+00
      2   0.103379D+01 -0.759091D+00  0.575504D+00 -0.695098D+00  0.635083D+00
      3  -0.217541D+01  0.575504D+00 -0.185327D+01  0.114120D+01 -0.595049D+00
               141           142           143           144           145 
      1   0.114120D+01 -0.248565D+01  0.849783D+00 -0.272031D+01 -0.217152D+01
      2  -0.595049D+00  0.849783D+00 -0.111370D+01  0.143285D+01 -0.692793D+00
      3   0.181245D+01 -0.272031D+01  0.143285D+01 -0.476983D+01  0.210471D+01
               146           147           148           149           150 
      1  -0.692793D+00  0.210471D+01 -0.523532D+00 -0.208190D+00  0.783846D+00
      2  -0.408508D+00  0.669975D+00 -0.208190D+00 -0.568170D+00  0.856717D+00
      3   0.669975D+00 -0.214807D+01  0.783846D+00  0.856717D+00 -0.229476D+01
               151           152           153           154           155 
      1   0.210296D+01  0.101369D+01 -0.269098D+01  0.369122D+01 -0.109041D+01
      2   0.101369D+01  0.159612D+01 -0.234538D+01 -0.109041D+01  0.885605D+00
      3  -0.269098D+01 -0.234538D+01  0.724097D+01  0.260167D+01 -0.104889D+01
               156           157           158           159           160 
      1   0.260167D+01 -0.159101D+01  0.656587D+00 -0.128896D+01  0.273312D+01
      2  -0.104889D+01  0.656587D+00 -0.829697D+00  0.908065D+00 -0.123696D+01
      3   0.229270D+01 -0.128896D+01  0.908065D+00 -0.204549D+01  0.295943D+01
               161           162           163           164           165 
      1  -0.123696D+01  0.295943D+01  0.103643D+01 -0.992147D-01 -0.163941D+01
      2   0.159111D+01 -0.211165D+01 -0.992147D-01  0.724690D+00  0.297282D+00
      3  -0.211165D+01  0.523644D+01 -0.163941D+01  0.297282D+00  0.140645D+01
               166           167           168           169           170 
      1   0.148247D+01  0.119552D+01 -0.454082D-01 -0.363154D+01  0.127893D+00
      2   0.119552D+01 -0.472554D+00 -0.755260D+00  0.127893D+00 -0.110964D+01
      3  -0.454082D-01 -0.755260D+00  0.151220D-01  0.245401D+01 -0.121613D+01
               171           172           173           174           175 
      1   0.245401D+01  0.411361D+01 -0.197508D+01  0.705969D+00 -0.393483D+01
      2  -0.121613D+01 -0.197508D+01  0.236158D+01 -0.107761D+00  0.348258D+01
      3  -0.625144D+01  0.705969D+00 -0.107761D+00  0.409389D+00 -0.254370D+00
               176           177           178           179           180 
      1   0.348258D+01 -0.254370D+00  0.457982D+01 -0.468909D+00  0.115370D+01
      2  -0.669716D+01  0.947998D+00 -0.468909D+00  0.214187D+01 -0.113092D+01
      3   0.947998D+00 -0.747644D+00  0.115370D+01 -0.113092D+01  0.334652D+00
               181           182           183           184           185 
      1  -0.432717D+00 -0.628490D+00  0.139695D+01 -0.130538D+01 -0.826445D+00
      2  -0.628490D+00 -0.795343D+00 -0.385427D-01 -0.826445D+00  0.209724D+00
      3   0.139695D+01 -0.385427D-01 -0.101371D+01  0.106494D+00  0.747142D+00
               186           187           188           189           190 
      1   0.106494D+00  0.221004D+01  0.161280D+00 -0.792508D+00 -0.891949D+01
      2   0.747142D+00  0.161280D+00  0.977803D+00 -0.156007D-01  0.726154D+00
      3   0.652411D-01 -0.792508D+00 -0.156007D-01  0.736661D+01  0.394805D+00
               191           192           193           194           195 
      1   0.726154D+00  0.394805D+00  0.839321D-01 -0.143764D+01  0.812612D-01
      2  -0.214356D+01  0.994287D-01 -0.143764D+01  0.660581D+00  0.382975D+00
      3   0.994287D-01 -0.632070D+00  0.812612D-01  0.382975D+00  0.381989D+00
               196           197           198           199           200 
      1   0.494610D+00 -0.792900D-01 -0.373022D+00  0.354730D+00  0.669247D+00
      2  -0.792900D-01  0.653543D+00  0.563761D+00  0.669247D+00  0.945689D+00
      3  -0.373022D+00  0.563761D+00 -0.330729D+00 -0.111429D+01 -0.299679D+00
               201           202           203           204           205 
      1  -0.111429D+01  0.329233D+00  0.643626D+00 -0.765132D-01 -0.177115D+01
      2  -0.299679D+00  0.643626D+00  0.863004D+00 -0.780014D+00 -0.514511D+00
      3   0.141371D+01 -0.765132D-01 -0.780014D+00  0.581217D+00  0.155326D+01
               206           207           208           209           210 
      1  -0.514511D+00  0.155326D+01  0.229236D+01  0.270077D+01  0.925515D+00
      2  -0.187407D+01  0.192769D+01  0.270077D+01  0.336497D+01  0.708419D+00
      3   0.192769D+01 -0.685994D+01  0.925515D+00  0.708419D+00  0.960796D+00
               211           212           213           214           215 
      1   0.247366D+01  0.340798D+01  0.904259D+00  0.179924D+01  0.147821D+01
      2   0.340798D+01  0.725255D+01  0.205247D+01  0.147821D+01  0.349329D+01
      3   0.904259D+00  0.205247D+01  0.138063D+01  0.129489D+01  0.193019D+01
               216           217           218           219           220 
      1   0.129489D+01  0.227386D+01  0.117783D+00 -0.173294D+01  0.387183D+00
      2   0.193019D+01  0.117783D+00  0.671834D+00  0.733397D-01  0.127507D+01
      3   0.114891D+01 -0.173294D+01  0.733397D-01  0.177468D+01  0.253649D-01
               221           222           223           224           225 
      1   0.127507D+01  0.253649D-01 -0.438024D+01  0.113711D+00  0.343175D+01
      2  -0.175415D+00 -0.486353D+00  0.113711D+00 -0.914336D+00 -0.361296D-01
      3  -0.486353D+00  0.848065D-01  0.343175D+01 -0.361296D-01 -0.614161D+01
               226           227           228           229           230 
      1   0.198261D+01 -0.183596D+01  0.942652D+00 -0.382784D+01  0.339250D+01
      2  -0.183596D+01  0.183503D+01 -0.568898D+00  0.339250D+01 -0.585191D+01
      3   0.942652D+00 -0.568898D+00  0.887928D+00 -0.109896D+01  0.209742D+01
               231           232           233           234           235 
      1  -0.109896D+01  0.197119D+01 -0.974869D+00  0.174135D+01  0.486508D+01
      2   0.209742D+01 -0.974869D+00  0.223144D+01 -0.144448D+01  0.254058D+01
      3  -0.158885D+01  0.174135D+01 -0.144448D+01  0.126003D+01  0.178229D+01
               236           237           238           239           240 
      1   0.254058D+01  0.178229D+01  0.555469D+01  0.374871D+01  0.167435D+01
      2   0.201199D+01  0.916416D+00  0.374871D+01  0.374442D+01  0.196853D+01
      3   0.916416D+00  0.138093D+01  0.167435D+01  0.196853D+01  0.168272D+01
               241           242           243           244           245 
      1   0.356136D+01  0.149076D+01  0.255601D+01 -0.955443D-02 -0.867649D+00
      2   0.149076D+01  0.206247D+01  0.144597D+01 -0.867649D+00 -0.686146D+00
      3   0.255601D+01  0.144597D+01  0.172600D+01  0.128998D+01  0.267823D+00
               246           247           248           249           250 
      1   0.128998D+01 -0.121257D+01 -0.121319D+01  0.403094D+00  0.259711D+01
      2   0.267823D+00 -0.121319D+01 -0.101812D+01  0.126231D+01  0.415915D+00
      3  -0.117514D+01  0.403094D+00  0.126231D+01 -0.158218D+01 -0.185611D+01
               251           252           253           254           255 
      1   0.415915D+00 -0.185611D+01  0.836930D+01 -0.760156D+00 -0.203116D+01
      2   0.149831D+01 -0.142266D+01 -0.760156D+00 -0.338018D+01 -0.109599D+01
      3  -0.142266D+01  0.522913D+01 -0.203116D+01 -0.109599D+01 -0.160642D+01
               256           257           258           259           260 
      1  -0.364474D+01 -0.301870D+01 -0.135995D+01 -0.644119D+01 -0.159540D+01
      2  -0.301870D+01  0.502056D+01 -0.443599D+00 -0.159540D+01 -0.181801D+01
      3  -0.135995D+01 -0.443599D+00 -0.253353D+01 -0.215570D+01 -0.258322D+01
               261           262           263           264           265 
      1  -0.215570D+01 -0.128399D+01  0.148702D+01 -0.580347D+00  0.243011D+01
      2  -0.258322D+01  0.148702D+01 -0.175346D+01  0.419731D+00 -0.331719D+01
      3   0.279271D+01 -0.580347D+00  0.419731D+00 -0.459118D+00  0.776420D+00
               266           267           268           269           270 
      1  -0.331719D+01  0.776420D+00 -0.341090D-01 -0.243918D+00 -0.334539D+00
      2   0.821892D+01 -0.161407D+01 -0.243918D+00  0.371029D+00  0.588843D+00
      3  -0.161407D+01  0.147772D+01 -0.334539D+00  0.588843D+00 -0.610430D+00
               271           272           273           274           275 
      1  -0.195187D+00  0.483902D+00 -0.579659D+00  0.144923D+01  0.390612D+00
      2   0.483902D+00  0.531193D+00  0.183774D+00  0.390612D+00  0.434586D+00
      3  -0.579659D+00  0.183774D+00  0.407804D+00  0.352301D+00 -0.667413D+00
               276           277           278           279           280 
      1   0.352301D+00 -0.178375D+01 -0.190752D+00 -0.663307D+00 -0.151859D+02
      2  -0.667413D+00 -0.190752D+00 -0.112319D+01  0.399151D+00 -0.180100D+01
      3   0.129316D+01 -0.663307D+00  0.399151D+00 -0.618917D+01 -0.243021D+00
               281           282           283           284           285 
      1  -0.180100D+01 -0.243021D+00  0.508711D+00 -0.122524D+01  0.134331D+00
      2  -0.130330D+01 -0.165300D+00 -0.122524D+01 -0.677497D+00  0.103261D+00
      3  -0.165300D+00 -0.103807D+01  0.134331D+00  0.103261D+00  0.352211D+00
               286           287           288           289           290 
      1   0.191418D+01  0.413960D+00 -0.112016D+01 -0.488470D-02 -0.907191D+00
      2   0.413960D+00  0.552304D+00  0.113537D+00 -0.907191D+00  0.197403D+01
      3  -0.112016D+01  0.113537D+00  0.478780D-01  0.238815D+00  0.376661D+00
               291           292           293           294           295 
      1   0.238815D+00 -0.154424D+01 -0.296968D+00 -0.102253D+00  0.900739D+00
      2   0.376661D+00 -0.296968D+00 -0.932315D+01 -0.928622D+00  0.273373D+00
      3   0.479623D+00 -0.102253D+00 -0.928622D+00 -0.102849D+01  0.166418D+00
               296           297 
      1   0.273373D+00  0.166418D+00
      2   0.417039D+00 -0.818610D+00
      3  -0.818610D+00 -0.430901D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.433957D+00 -0.203495D+01  0.582980D+00 -0.657458D+01 -0.245382D+01
      2   0.286530D+01 -0.246212D+01  0.964158D+01 -0.181203D+01  0.153286D+01
      3   0.166476D+02 -0.234389D+01  0.300373D+01  0.781854D+01 -0.124378D+01
                 6             7             8             9            10 
      1  -0.219200D+01 -0.228273D+01  0.226010D+01 -0.165080D+00 -0.105401D+00
      2  -0.331724D+01 -0.492835D+01 -0.120649D+01  0.229218D+01  0.128796D+01
      3   0.208947D+01  0.135616D+02  0.472382D+00  0.303010D+01 -0.302591D+02
                11            12            13            14            15 
      1   0.871737D-01  0.207765D+01  0.190769D+01  0.449806D+01 -0.831334D+01
      2   0.585956D+00 -0.352128D+01  0.409418D+01  0.487386D+00  0.894673D+00
      3  -0.119558D+01  0.817670D+00  0.112599D+02 -0.171340D+01 -0.461276D+00
                16            17            18            19            20 
      1  -0.253477D+01 -0.265824D+01 -0.422196D+01  0.508013D+00  0.153553D+01
      2  -0.232122D+02 -0.133416D+01 -0.318135D+01 -0.386013D+01 -0.145692D+01
      3  -0.142225D+01 -0.797936D+00 -0.240549D+01 -0.106545D+02 -0.829024D+00
                21            22            23            24            25 
      1  -0.129068D+01  0.533656D+01 -0.186132D+01 -0.349924D+01  0.360645D+01
      2   0.331857D+01 -0.368140D+01 -0.171079D+01  0.105796D+01 -0.252361D+01
      3   0.263898D+01  0.701428D+01  0.146248D+01 -0.279305D+01  0.163903D+02
                26            27            28            29            30 
      1   0.225054D+01 -0.149714D+01 -0.911748D+00  0.131058D+01 -0.186936D+01
      2   0.371693D+00 -0.546838D+00  0.310428D+01  0.894176D+00 -0.225791D+01
      3  -0.154148D+01 -0.428431D+01  0.280909D+02 -0.159440D+00 -0.189089D+01
                31            32            33            34            35 
      1  -0.227851D+00  0.398106D+01 -0.903324D+01 -0.450921D+01 -0.207272D+01
      2   0.349482D+01 -0.844814D-01  0.232448D+01 -0.242551D+02  0.416031D+01
      3   0.830136D+01  0.493005D+01  0.110594D+01 -0.631495D+01 -0.866930D+00
                36            37            38            39            40 
      1  -0.319880D+01 -0.539850D+00 -0.127654D+01 -0.204005D+01 -0.560487D+01
      2  -0.503232D+00  0.578290D+00 -0.262019D+01  0.844329D+01 -0.219364D+01
      3   0.126002D+01 -0.132282D+02 -0.106898D+01  0.300468D+01  0.146398D+02
                41            42            43            44            45 
      1   0.115054D+01  0.622119D+00 -0.773230D+00  0.374320D+01  0.204718D+01
      2   0.138447D+01 -0.151764D+01 -0.709250D+01 -0.101673D+01  0.154321D+01
      3  -0.100909D+01  0.243511D+01 -0.982584D+01  0.321684D+01  0.184319D+01
                46            47            48            49            50 
      1  -0.238545D+00  0.139473D+01  0.305631D+01  0.764252D+01  0.142357D+01
      2  -0.166293D+01 -0.195408D+01  0.388305D+01 -0.331185D+01 -0.148831D+01
      3   0.126220D+02 -0.124470D+01 -0.874068D+00  0.135672D+02  0.146822D+01
                51            52            53            54            55 
      1  -0.261368D+01  0.269509D+01  0.391996D+01  0.518048D+00 -0.188683D+01
      2   0.537894D+00 -0.249911D+01  0.118656D+01 -0.128937D+01 -0.411053D+01
      3  -0.388087D+01 -0.104515D+02 -0.220306D+01 -0.670373D+00  0.156688D+02
                56            57            58            59            60 
      1  -0.185281D-01 -0.824199D+00 -0.324390D+00 -0.551720D+01 -0.105660D+01
      2   0.602196D+00 -0.134963D+01 -0.203201D+01 -0.113826D+02  0.148118D+01
      3   0.994152D+01  0.239588D+00  0.365169D+02  0.215715D+00  0.695453D+01
                61            62            63            64            65 
      1  -0.576356D+00  0.424030D+01  0.470308D+01  0.211691D+01  0.112539D+01
      2  -0.216121D+02  0.732651D+00  0.203944D+02  0.387069D+01  0.154992D+01
      3   0.937467D+01  0.121864D+02  0.190265D+01 -0.192245D+02 -0.204161D+02
                66            67            68            69            70 
      1  -0.187901D+01 -0.804478D-01 -0.188243D+01 -0.211463D+01  0.437667D+00
      2   0.140053D+02  0.519356D+01  0.113753D+02  0.199988D+00  0.128518D+02
      3  -0.180744D+01 -0.262354D+02  0.573615D+01 -0.991001D+01 -0.102471D+02
                71            72            73            74            75 
      1   0.481091D+01  0.482665D+01  0.185894D+01  0.229381D+01  0.503353D+01
      2   0.314675D+01 -0.342470D+02 -0.483089D+00 -0.394307D+01 -0.515874D+01
      3  -0.143344D+02 -0.232264D+01  0.262892D+02  0.416443D+01  0.804468D+00
                76            77            78            79            80 
      1   0.302699D+01  0.970773D+01  0.174622D+01  0.690532D+01  0.844327D+01
      2  -0.509978D+01 -0.114252D+02 -0.385766D+01 -0.120955D+02 -0.656666D+01
      3   0.108640D+02 -0.672613D+01  0.916383D+01  0.149392D+01  0.126580D+02
                81            82            83            84            85 
      1  -0.122700D+02 -0.465757D+00 -0.570444D+00  0.345444D+00 -0.677146D+00
      2   0.186353D+02 -0.516007D+01 -0.222859D+01 -0.158708D+02 -0.408598D+01
      3   0.253863D+01  0.921757D+01  0.189726D+02  0.282540D+01  0.385043D+02
                86            87            88            89            90 
      1   0.143476D+01 -0.273400D+01  0.742467D+00  0.793535D+00 -0.130278D+01
      2  -0.220623D+02 -0.680839D+00 -0.314261D+02 -0.104793D+01  0.265177D+02
      3  -0.126000D+02  0.231274D+02  0.450434D+01  0.226865D+02  0.132292D+01
                91            92            93            94            95 
      1   0.199020D+01 -0.922376D+00  0.155215D+01  0.406657D+00 -0.136586D+01
      2  -0.102187D+02  0.690624D-01 -0.215043D+01 -0.911326D+00 -0.397516D+01
      3  -0.398341D+01  0.117599D+01 -0.696038D+00  0.333017D+02 -0.160303D+02
                96            97            98            99           100 
      1  -0.211933D+01  0.159819D+01  0.544833D+01 -0.317324D+00  0.117716D+01
      2  -0.101320D+02 -0.171532D+02 -0.104250D+02  0.114821D+02  0.539997D+01
      3  -0.108473D+01  0.209448D+01 -0.891964D+00  0.709860D+01  0.140673D+02
               101           102           103           104           105 
      1   0.184750D+01 -0.334925D+01  0.976075D+00 -0.140631D+01  0.782574D+00
      2  -0.393941D+01  0.729708D+01 -0.171088D+01  0.508543D+01  0.156984D+02
      3  -0.161709D+02  0.189064D+01 -0.761467D+01  0.107983D+01 -0.391060D+01
               106           107           108           109           110 
      1  -0.390366D+01 -0.207886D+00  0.428111D+01 -0.330386D+01 -0.236737D+01
      2  -0.208369D+01  0.132763D+02  0.939578D+01 -0.894425D+01  0.249338D+01
      3   0.852104D+01 -0.932682D+01 -0.965777D+01  0.110182D+00 -0.604627D+00
               111           112           113           114           115 
      1   0.189901D+01 -0.177443D+01  0.350024D+01 -0.582711D+01  0.102039D+01
      2   0.476738D+01 -0.119382D+01 -0.109087D+02 -0.133804D+02  0.247415D+01
      3  -0.529531D+00 -0.397304D+01  0.186214D+02  0.123313D+02 -0.107331D+02
               116           117           118           119           120 
      1   0.601876D+01 -0.991508D+01  0.357161D+01 -0.734738D+00  0.400111D+00
      2  -0.124055D+02 -0.315622D+02  0.535678D+01 -0.149368D-01  0.175044D+01
      3   0.157783D+02  0.120948D+02 -0.309250D+01  0.480663D+01 -0.294669D+01
               121           122           123           124           125 
      1  -0.125753D+01  0.510185D+01 -0.183010D+01 -0.138055D+01  0.620875D+01
      2   0.103467D+01  0.364566D+01 -0.718136D+00 -0.902611D+00 -0.411252D+01
      3   0.826111D+01 -0.168901D+02 -0.229448D+01  0.296498D+01 -0.663445D+01
               126           127           128           129           130 
      1   0.743774D+01 -0.178808D+01 -0.197420D+01  0.107263D+01 -0.109022D+00
      2   0.153089D+02  0.481697D+01  0.850382D+00 -0.122617D+01  0.210769D+00
      3   0.527353D+01 -0.310891D+00 -0.100319D+01  0.894719D+00  0.126605D+01
               131           132           133           134           135 
      1  -0.116052D+01 -0.301344D+00  0.314049D+01  0.555209D+01 -0.488182D+01
      2  -0.135371D+00  0.525941D+00 -0.499693D+01 -0.636928D+00 -0.167329D+01
      3  -0.452796D+00  0.379371D+00  0.109454D+01  0.228802D+01 -0.175725D+01
               136           137           138           139           140 
      1  -0.228892D+01  0.314676D+01 -0.748806D+00  0.147223D+01 -0.147459D+01
      2  -0.953279D+01  0.144656D+01 -0.148416D+01  0.158160D+01 -0.890489D+00
      3   0.148023D+00 -0.151712D+01  0.677923D+00  0.873840D+00  0.110857D+01
               141           142           143           144           145 
      1  -0.671755D+00 -0.178367D+01  0.398789D+01 -0.293595D+01  0.193568D+01
      2   0.107757D+00 -0.408555D+01  0.215452D+00  0.736368D+00  0.443398D+01
      3  -0.695889D-01  0.807949D+00 -0.245344D+01  0.162370D+01  0.290880D+01
               146           147           148           149           150 
      1  -0.977499D+00 -0.223852D+01  0.118393D+01  0.215916D+00 -0.366363D+01
      2   0.528928D+00 -0.111333D+01  0.583948D+00 -0.689808D-01  0.637131D+00
      3  -0.577970D-01 -0.206786D+01  0.185988D+01 -0.265176D+00 -0.705708D+00
               151           152           153           154           155 
      1  -0.177473D+01  0.227694D+01  0.573022D+01  0.269090D+01  0.139364D+01
      2  -0.432653D+01 -0.320810D+00 -0.991552D+00 -0.541447D+01  0.304125D+00
      3  -0.238981D+01  0.101829D+01  0.177621D+01 -0.501755D+01 -0.724461D+00
               156           157           158           159           160 
      1   0.233817D+01 -0.139073D+01  0.219096D+00 -0.371766D+01  0.239054D+01
      2  -0.527972D+00  0.734697D+00  0.184257D+00 -0.925671D+00 -0.320912D+01
      3  -0.245735D+01  0.364799D+01  0.694789D+00  0.871258D+00 -0.302755D+01
               161           162           163           164           165 
      1   0.151014D+01  0.429805D+01 -0.145512D+01 -0.611858D+00  0.120550D+01
      2  -0.282366D+00  0.223404D+01 -0.595833D+01  0.555816D+00  0.539918D+01
      3  -0.134439D+01 -0.181076D+01 -0.158131D+01 -0.348094D+01  0.761778D+00
               166           167           168           169           170 
      1   0.111915D+00 -0.266439D+00 -0.874333D+00  0.235562D+01  0.208654D+01
      2   0.448521D+00 -0.148289D+01  0.450482D+00  0.233875D+01 -0.406910D+01
      3  -0.323939D+01  0.415758D+00  0.193958D+01  0.314136D+01  0.395908D+01
               171           172           173           174           175 
      1  -0.650124D+01  0.115209D+01 -0.105846D+01  0.148169D+01 -0.165022D+01
      2  -0.208533D+02  0.490509D+01 -0.164593D+01  0.344086D+01 -0.264658D+01
      3   0.299252D+00  0.115929D+01 -0.704921D+01 -0.148098D+00 -0.429055D+01
               176           177           178           179           180 
      1   0.356594D+01 -0.345794D+01  0.172903D+01 -0.121617D+01  0.123008D+01
      2   0.615194D+01 -0.370091D+01  0.378982D+01 -0.438666D+01  0.112349D+01
      3   0.183606D+02 -0.240715D+01 -0.315028D+01 -0.694635D+01  0.206085D+01
               181           182           183           184           185 
      1  -0.211228D+01 -0.141651D+01  0.101448D+01 -0.916376D+00 -0.328306D+00
      2   0.775994D+01  0.510195D+00 -0.495571D+01  0.154628D+01  0.368581D+01
      3   0.181930D+01  0.233241D+01  0.372425D+00  0.509359D+01 -0.865875D+00
               186           187           188           189           190 
      1  -0.499159D+00  0.157009D+01  0.348709D+01 -0.436167D+01  0.177996D+00
      2  -0.393517D+00 -0.910505D+01 -0.865938D+00  0.305276D+02 -0.171021D+01
      3  -0.289891D+01  0.399478D-01 -0.338340D+01 -0.418034D+00 -0.270283D+02
               191           192           193           194           195 
      1   0.213952D+00  0.221470D+01 -0.924633D-01 -0.101704D+01 -0.119996D+01
      2   0.606656D+00 -0.158348D+00  0.633673D+00  0.104496D+01  0.199139D+00
      3   0.602696D+01  0.615989D+00  0.663590D+01 -0.417373D+01 -0.128439D+01
               196           197           198           199           200 
      1   0.225494D+01  0.389036D+00  0.759750D+00  0.248511D+01 -0.757416D-01
      2  -0.355780D+01  0.123697D+01 -0.106232D+01 -0.372958D+01 -0.111161D+01
      3   0.794417D+00 -0.234552D+01 -0.283823D+01 -0.254963D+01 -0.327883D+01
               201           202           203           204           205 
      1  -0.311495D+01  0.209086D+00  0.123209D+01 -0.215571D+01 -0.309531D+01
      2   0.512061D+01 -0.269488D+00 -0.229001D+01  0.137160D+01  0.946022D+00
      3  -0.607511D+00 -0.610081D+00 -0.164801D+01  0.229927D+01 -0.220575D+01
               206           207           208           209           210 
      1  -0.258889D+00  0.156257D+02 -0.260806D+01 -0.215070D+01 -0.378326D+01
      2   0.608973D+01 -0.229525D+02  0.346754D+01  0.301655D+01  0.465651D+01
      3   0.664200D+01 -0.478309D+01 -0.491211D+01 -0.864028D+01 -0.611816D+00
               211           212           213           214           215 
      1  -0.346317D+01 -0.589590D+01 -0.601957D+01 -0.347930D+01 -0.351397D+01
      2   0.326262D+01  0.786262D+01  0.595210D+01  0.361746D+01  0.693463D+01
      3  -0.345780D+01 -0.199355D+02 -0.515472D+01 -0.883934D+00 -0.103780D+02
               216           217           218           219           220 
      1  -0.354062D+01  0.367805D+00 -0.492179D+00 -0.122848D+00  0.111586D+00
      2   0.435651D+01 -0.990061D+01  0.320429D+00  0.116920D+02  0.753015D-01
      3  -0.452170D+01 -0.482916D+00 -0.476665D+01 -0.477172D+00 -0.553654D+01
               221           222           223           224           225 
      1   0.719876D-01 -0.848868D+00 -0.711683D+00  0.248594D+01  0.116194D+01
      2  -0.263055D+01  0.365539D+00  0.164721D+02 -0.183747D+00 -0.363697D+02
      3   0.107262D+01  0.236033D+01 -0.876695D+00  0.600147D+01  0.355627D-01
               226           227           228           229           230 
      1  -0.906460D+00  0.870446D+00  0.384327D+00  0.106755D+01 -0.294517D+01
      2   0.462652D+01 -0.265947D+01  0.557443D+01 -0.414797D+01  0.111182D+02
      3   0.993928D+01 -0.115015D+02  0.330547D+01 -0.152691D+02  0.335603D+02
               231           232           233           234           235 
      1  -0.144573D+01 -0.423632D+00  0.206789D+01  0.540089D-01  0.384695D+00
      2  -0.979493D+01  0.733530D+01 -0.780482D+01  0.646248D+01  0.795652D+01
      3  -0.117338D+02  0.468700D+01 -0.130300D+02  0.771130D+01 -0.124059D+02
               236           237           238           239           240 
      1   0.957652D+00 -0.935671D+00  0.595079D+00  0.139696D+01 -0.149866D+01
      2   0.423244D+01  0.920587D+01  0.694198D+01  0.100111D+02  0.101111D+02
      3  -0.130883D+02 -0.487839D+01 -0.176009D+02 -0.214358D+02 -0.108931D+02
               241           242           243           244           245 
      1  -0.534003D+00  0.161757D+01 -0.688585D+00  0.204667D+00 -0.395816D+00
      2   0.114807D+02  0.755849D+01  0.905229D+01 -0.519485D+01 -0.553207D+00
      3  -0.694098D+01 -0.123518D+02 -0.761751D+01 -0.301118D+01 -0.229245D+01
               246           247           248           249           250 
      1  -0.713954D+00 -0.975493D-01  0.171283D+00 -0.168916D+01 -0.728528D+00
      2   0.400336D+01 -0.409126D-01 -0.349469D+01  0.549715D+01  0.126035D+01
      3   0.423271D-01 -0.120418D+01 -0.248943D+01  0.347986D+01 -0.907016D+00
               251           252           253           254           255 
      1   0.212486D+01  0.302072D+01 -0.227155D+01  0.930400D+00 -0.264904D+01
      2   0.464054D+01 -0.168104D+02  0.187269D+02  0.513818D+01  0.885653D+01
      3   0.450957D+01 -0.350540D+01 -0.155298D+02 -0.137363D+02 -0.955512D+00
               256           257           258           259           260 
      1  -0.114872D+01 -0.634600D+01 -0.623178D+01 -0.128994D+01 -0.105345D+01
      2   0.471860D+01  0.122883D+00  0.925734D+01  0.565163D+01  0.100207D+02
      3  -0.453793D+01  0.245657D+02  0.943558D+00  0.117072D+01 -0.246899D+01
               261           262           263           264           265 
      1   0.835813D+01 -0.714165D-01  0.823674D+00  0.691045D+00  0.130407D+01
      2  -0.158760D+02  0.119087D+01 -0.676608D+00  0.151396D+01 -0.120188D+01
      3  -0.727312D+01  0.336150D+01 -0.449261D+01  0.155181D+01 -0.693871D+01
               266           267           268           269           270 
      1  -0.419456D+01 -0.253912D+01 -0.150114D+00  0.664624D-01 -0.448339D+00
      2   0.398825D+01 -0.507159D+01  0.516294D+00 -0.161648D+01  0.158058D+01
      3   0.265538D+02 -0.500630D+01 -0.655210D+00  0.144875D+01  0.179719D+01
               271           272           273           274           275 
      1  -0.228425D+01 -0.856688D+00  0.587641D+00 -0.299092D+00 -0.309648D+01
      2   0.541080D+01  0.514314D+00 -0.252798D+01  0.168694D+01  0.364346D+01
      3   0.257618D+01  0.113317D+01  0.107331D+01  0.108397D+01  0.146491D+01
               276           277           278           279           280 
      1   0.219146D+01 -0.934529D-01  0.446572D+01 -0.109107D+02  0.929460D+00
      2  -0.564217D+01 -0.261158D+01 -0.264887D+01  0.252351D+02 -0.938807D+01
      3  -0.296141D+01  0.120878D+01 -0.413489D+01  0.307176D+01  0.146251D+02
               281           282           283           284           285 
      1   0.802194D+00 -0.192991D+01  0.103823D+01  0.676676D+00 -0.152538D-01
      2  -0.299046D+00  0.778372D+01 -0.851643D+00 -0.123524D+01 -0.124079D+01
      3  -0.612717D+01 -0.700184D+00 -0.427142D+01 -0.100120D+01  0.375472D+00
               286           287           288           289           290 
      1  -0.195523D+01  0.838046D+00 -0.171319D+00  0.125292D+01 -0.798816D+00
      2   0.435382D+01 -0.724532D+00 -0.476090D+00 -0.748190D+00 -0.201915D+01
      3  -0.103064D+01  0.173078D+01  0.220184D+01 -0.518689D+01  0.768272D+01
               291           292           293           294           295 
      1   0.155215D+01 -0.443238D+00  0.622927D+01 -0.363437D+01  0.741345D+00
      2  -0.159641D+01 -0.105098D+01  0.394118D+01  0.370366D+01 -0.175823D+01
      3   0.502946D+00  0.461578D+01 -0.336139D+02 -0.265502D+01 -0.787371D+00
               296           297 
      1  -0.558911D+00 -0.992821D-01
      2   0.286775D+01  0.176592D+01
      3   0.837504D+00 -0.307637D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.554995D+00 -0.810350D+01  0.231099D+02  0.160070D+02 -0.317273D+01
      2   0.540333D+01  0.344323D+01 -0.871359D+01 -0.348989D+01  0.477276D+01
      3  -0.484834D+01  0.466027D+01 -0.143963D+02 -0.125171D+02 -0.160003D+01
      4  -0.378997D+01  0.330832D+01 -0.545310D+00  0.924981D+01  0.418732D+01
      5   0.191839D+02  0.108450D+01 -0.755665D+01 -0.439277D+01 -0.240728D+01
      6   0.541351D+00 -0.368974D+01 -0.826958D-01 -0.119027D+01  0.375972D+01
                 6             7             8             9            10 
      1  -0.164598D+02 -0.234298D+02 -0.105212D+02  0.551668D+01  0.486544D+02
      2   0.146142D+01  0.272705D+01  0.215732D+01  0.427403D+01 -0.178275D+02
      3   0.149983D+02  0.207027D+02  0.836385D+01 -0.979071D+01 -0.308269D+02
      4  -0.392891D+01  0.304473D+01 -0.247988D+01 -0.532059D+01 -0.113688D+02
      5  -0.405204D+01  0.869217D+01 -0.459648D+01  0.662175D+01 -0.296589D+01
      6   0.124142D+02 -0.672927D+01  0.636977D+01  0.147044D+02  0.125062D+01
                11            12            13            14            15 
      1   0.802822D+01 -0.611177D+00  0.104590D+02 -0.786955D+00  0.633546D+01
      2  -0.731687D+01  0.270999D+01 -0.999663D+01  0.668565D+01 -0.118539D+01
      3  -0.711346D+00 -0.209881D+01 -0.462372D+00 -0.589870D+01 -0.515008D+01
      4   0.225333D+01 -0.315861D+01  0.173283D+02 -0.478901D+01 -0.875239D+00
      5  -0.374517D+01  0.647841D+01  0.106221D+02 -0.431882D-01 -0.197802D+01
      6  -0.166119D+00 -0.679792D+01 -0.476543D+01  0.385006D+01  0.817534D+01
                16            17            18            19            20 
      1  -0.102508D+02  0.769617D+01 -0.195685D+02 -0.184069D+01  0.531028D+01
      2  -0.129822D+00  0.439872D+01  0.188040D+01 -0.320221D+00 -0.203981D+01
      3   0.103807D+02 -0.120949D+02  0.176881D+02  0.216092D+01 -0.327047D+01
      4   0.151455D+02  0.475665D+00 -0.941858D+00  0.558288D+01 -0.973855D+00
      5  -0.154122D+02 -0.187901D+01 -0.374399D+01 -0.170911D+02  0.231752D+01
      6  -0.443337D+01  0.566157D+00 -0.580104D+01  0.245569D+01  0.524515D+01
                21            22            23            24            25 
      1  -0.275204D+02 -0.944173D+01 -0.498713D+01 -0.692509D+01  0.229107D+02
      2   0.769210D+01 -0.171072D+01  0.630091D+01  0.103041D+00 -0.119663D+01
      3   0.198283D+02  0.111525D+02 -0.131379D+01  0.682205D+01 -0.217140D+02
      4   0.216642D+01  0.435019D+01 -0.120636D+01  0.355585D+01  0.317317D+01
      5  -0.289778D+01  0.949985D+00  0.193970D+01  0.656071D+01  0.100017D+02
      6   0.538463D+01  0.226896D+01  0.305111D+01  0.844614D+01  0.108991D+02
                26            27            28            29            30 
      1  -0.875805D+01  0.876502D+01  0.139334D+02 -0.263759D+01  0.203515D+01
      2   0.147707D+01 -0.160483D+01 -0.415600D+01  0.649673D+01  0.673039D+00
      3   0.728098D+01 -0.716019D+01 -0.977744D+01 -0.385914D+01 -0.270819D+01
      4   0.399383D+01  0.699556D+01  0.180705D+02  0.297603D+01 -0.238620D+01
      5   0.574018D+01 -0.512791D+01  0.183475D+01 -0.187081D+01  0.797770D+01
      6   0.301251D+01  0.113729D+02  0.304818D+01 -0.675489D+00  0.482152D+01
                31            32            33            34            35 
      1  -0.213397D+01 -0.290334D+01  0.852196D+01 -0.899510D+01  0.970572D+01
      2   0.760075D+01  0.532563D+01 -0.213156D+01  0.247282D+01  0.358179D+01
      3  -0.546678D+01 -0.242229D+01 -0.639040D+01  0.652228D+01 -0.132875D+02
      4   0.139978D+02  0.761438D+00  0.144811D+01  0.116302D+02  0.498550D+01
      5   0.131707D+02 -0.225921D+00  0.244676D+01 -0.183563D+02  0.379155D+01
      6  -0.132479D+01  0.364779D+01  0.649962D+01 -0.117611D+01  0.648909D+00
                36            37            38            39            40 
      1  -0.226000D+02  0.123089D+02 -0.136345D+02  0.255989D+02  0.500130D+01
      2   0.411393D+01  0.130865D+00  0.120327D+02 -0.123676D+02  0.414926D+01
      3   0.184861D+02 -0.124398D+02  0.160180D+01 -0.132313D+02 -0.915055D+01
      4   0.155145D+01 -0.934118D+01 -0.322716D+00  0.369651D+01  0.138422D+02
      5  -0.558970D+00  0.172441D+02  0.199778D+01 -0.903325D+01 -0.457063D+00
      6  -0.758347D+01 -0.685937D+00 -0.560049D+01  0.554479D+01 -0.455121D+00
                41            42            43            44            45 
      1  -0.119813D+02 -0.609716D+01 -0.166566D+02 -0.528535D+01  0.101351D+02
      2   0.185038D+02 -0.104144D+02  0.135202D+01 -0.371110D+01 -0.168427D+01
      3  -0.652244D+01  0.165116D+02  0.153046D+02  0.899645D+01 -0.845084D+01
      4   0.688783D+01 -0.254058D+01 -0.412734D+01 -0.238209D+01 -0.620191D+01
      5  -0.134267D+01 -0.294915D+01  0.103512D+02 -0.630572D+01  0.718533D+01
      6  -0.687727D+01  0.637770D+01 -0.105240D+02  0.156402D+01  0.890344D+01
                46            47            48            49            50 
      1  -0.112132D+02  0.109230D+02 -0.266351D+02 -0.662655D+01 -0.157733D+02
      2   0.305109D+01 -0.972206D+01  0.933749D+01 -0.512621D+01  0.223043D+02
      3   0.816214D+01 -0.120095D+01  0.172976D+02  0.117528D+02 -0.653104D+01
      4   0.946464D+01 -0.499944D+00  0.508662D+01  0.551286D+01 -0.643171D+01
      5  -0.172611D+02  0.468023D+01 -0.264925D+01  0.476844D+01  0.173030D+01
      6   0.411179D+01  0.549266D+01 -0.434622D+01  0.128857D+00 -0.571034D+01
                51            52            53            54            55 
      1   0.194277D+01  0.363948D+02 -0.424329D+01  0.994098D+01 -0.359328D+02
      2  -0.100406D+02 -0.831705D+01 -0.126434D+01 -0.475068D+01  0.116832D+02
      3   0.809782D+01 -0.280777D+02  0.550764D+01 -0.519030D+01  0.242496D+02
      4   0.152128D+01 -0.392664D+01  0.887014D+00  0.703889D+01  0.183493D+01
      5   0.574983D+01  0.521855D+01  0.676268D+01 -0.725845D+01 -0.390752D+01
      6   0.403259D+01  0.111756D+02 -0.221123D+01  0.822098D+01  0.259100D+01
                56            57            58            59            60 
      1  -0.909765D+01 -0.358276D+01 -0.399359D+02 -0.304352D+02 -0.445062D+01
      2   0.689660D+01 -0.149413D+01  0.276102D+02  0.357854D+01  0.509275D+01
      3   0.220105D+01  0.507689D+01  0.123258D+02  0.268567D+02 -0.642126D+00
      4  -0.255051D+02 -0.407232D-01 -0.518077D+02  0.247446D+02 -0.138536D+02
      5  -0.596257D+00 -0.112712D+02 -0.459022D+01 -0.144517D+02  0.485538D+00
      6   0.517409D+00  0.176901D+01 -0.114023D+01  0.475160D+01 -0.252137D+00
                61            62            63            64            65 
      1  -0.295310D+02 -0.730142D+01 -0.909485D+01 -0.555959D+02  0.140943D+02
      2   0.416646D+01  0.727897D+01  0.124524D+02  0.349370D+02 -0.211210D+01
      3   0.253645D+02  0.224500D-01 -0.335753D+01  0.206589D+02 -0.119822D+02
      4  -0.479365D+01 -0.236721D+02  0.744310D+01  0.157271D+02  0.289355D+02
      5  -0.262818D+02  0.435798D+01  0.392728D+02 -0.244237D+01  0.342177D+01
      6   0.422336D+01 -0.213176D+01 -0.715493D+01  0.593302D+00 -0.209188D+01
                66            67            68            69            70 
      1  -0.355408D+01  0.506879D+02  0.511000D+02  0.382332D-01  0.189758D+02
      2  -0.116387D+01 -0.209022D+02 -0.280852D+02  0.240499D+01 -0.746509D+01
      3   0.471795D+01 -0.297856D+02 -0.230148D+02 -0.244322D+01 -0.115107D+02
      4   0.278455D+01  0.472224D+02 -0.122757D+02  0.179750D+02  0.678918D+01
      5   0.191348D+02  0.841038D+01  0.206662D+02  0.209487D+01  0.363609D+02
      6   0.360982D+01  0.292182D+01  0.479906D+01 -0.662539D+00  0.308323D+01
                71            72            73            74            75 
      1   0.161020D+01  0.368004D+02  0.545538D+02 -0.565324D+01 -0.674964D+01
      2   0.413452D+01 -0.957563D+01 -0.373839D+02 -0.911237D+01 -0.890155D+00
      3  -0.574472D+01 -0.272248D+02 -0.171699D+02  0.147656D+02  0.763980D+01
      4   0.231601D+02  0.511186D+01 -0.264618D+01 -0.315869D+02 -0.763691D+01
      5   0.422496D+01 -0.570049D+02 -0.625547D+01 -0.568778D+01 -0.137470D+02
      6   0.432806D+01 -0.733760D+01 -0.676606D+01 -0.252761D+01 -0.995589D+01
                76            77            78            79            80 
      1  -0.899461D+01 -0.324528D+02  0.414152D+01 -0.111209D+02  0.357763D+01
      2  -0.891017D+01  0.116696D+02 -0.131333D+02 -0.229503D+01 -0.166546D+02
      3   0.179048D+02  0.207831D+02  0.899183D+01  0.134159D+02  0.130769D+02
      4  -0.372183D+02 -0.153998D+02 -0.223558D+02 -0.830913D+01 -0.315543D+02
      5  -0.664669D+01 -0.221378D+02 -0.772238D+01 -0.216281D+02 -0.145542D+02
      6  -0.557531D+01 -0.179827D+02 -0.449334D+01 -0.115634D+02 -0.917977D+01
                81            82            83            84            85 
      1  -0.960897D+01  0.609459D+02 -0.174532D+02 -0.261663D+01 -0.297396D+02
      2   0.914140D+01 -0.327434D+02  0.801825D+01 -0.338585D-01  0.134210D+02
      3   0.467569D+00 -0.282025D+02  0.943491D+01  0.265049D+01  0.163186D+02
      4  -0.199383D+02 -0.203146D+02 -0.403403D+02 -0.591849D+01 -0.633990D+02
      5   0.415054D+02 -0.591445D+01 -0.654026D+01 -0.345031D+02 -0.112119D+02
      6   0.209502D+02 -0.179959D+01 -0.539303D+01 -0.218549D+01 -0.102630D+02
                86            87            88            89            90 
      1  -0.553807D+02 -0.652096D+01 -0.130095D+02 -0.565902D+01 -0.467126D+02
      2   0.276155D+02  0.197834D+01  0.288851D+01  0.147802D+01  0.254519D+02
      3   0.277652D+02  0.454262D+01  0.101210D+02  0.418100D+01  0.212607D+02
      4   0.202251D+02 -0.443056D+02 -0.981871D+01 -0.424065D+02 -0.429715D+01
      5  -0.477080D+02 -0.348442D+01 -0.551121D+02 -0.305807D+01  0.493391D+02
      6   0.788713D-01 -0.581084D+01 -0.370138D+01 -0.603589D+01  0.173307D+01
                91            92            93            94            95 
      1   0.773836D+01 -0.261150D+01 -0.640086D+01 -0.526840D+01 -0.175222D+02
      2  -0.559436D+01 -0.166287D+01  0.935743D+00  0.549010D+01  0.940199D+01
      3  -0.214400D+01  0.427437D+01  0.546512D+01 -0.221696D+00  0.812024D+01
      4  -0.137674D+02 -0.174879D+02 -0.478706D+01 -0.375478D+02  0.166995D+02
      5  -0.164034D+02 -0.319690D+01 -0.119425D+02 -0.110298D+02 -0.582369D+01
      6  -0.398795D+00 -0.588371D+01 -0.683642D+01 -0.211878D+01  0.190443D+01
                96            97            98            99           100 
      1  -0.701866D+01 -0.185067D+02 -0.758019D+01 -0.525123D+01  0.749564D+01
      2   0.308201D+01  0.365211D+01 -0.132892D+01  0.596741D+01 -0.225915D+01
      3   0.393664D+01  0.148546D+02  0.890912D+01 -0.716187D+00 -0.523649D+01
      4  -0.583224D+01 -0.188254D+02 -0.685645D+01 -0.236413D+02  0.831054D+01
      5  -0.204958D+02 -0.210753D+02 -0.222263D+02  0.222681D+02  0.120418D+02
      6  -0.403298D+01 -0.999033D+01 -0.608444D+01  0.771958D+01 -0.539877D+01
               101           102           103           104           105 
      1   0.185584D+01  0.452425D+01  0.113821D+02  0.692783D+01  0.927879D+00
      2  -0.731812D-01 -0.316327D+01 -0.112899D+02 -0.170324D+01  0.359069D+01
      3  -0.178266D+01 -0.136098D+01 -0.921628D-01 -0.522459D+01 -0.451857D+01
      4   0.273734D+01 -0.430928D+01 -0.965019D-01 -0.113187D+02  0.966837D+01
      5  -0.543514D+01 -0.373146D+01 -0.117519D+02  0.115559D+02  0.306180D+02
      6   0.388400D+01  0.734383D+01  0.532432D+01 -0.103553D+02 -0.178343D+02
               106           107           108           109           110 
      1   0.161520D+02 -0.402794D+00 -0.704389D+00  0.210774D+02 -0.146379D+02
      2  -0.334316D+01 -0.518702D+01  0.280148D+01 -0.128027D+02  0.675651D+01
      3  -0.128088D+02  0.558982D+01 -0.209709D+01 -0.827471D+01  0.788142D+01
      4  -0.997729D+01  0.200288D+02  0.250268D+02 -0.205389D+02  0.172938D+02
      5  -0.201988D+02  0.257058D+02  0.194004D+02 -0.301552D+02  0.984966D+01
      6   0.129376D+02 -0.203014D+02 -0.130727D+02  0.113345D+02 -0.317306D+01
               111           112           113           114           115 
      1  -0.227306D+02 -0.125680D+02 -0.687565D+01 -0.594946D+01 -0.260247D+02
      2   0.144352D+02  0.343497D+01  0.154484D+02  0.456384D+01  0.166785D+02
      3   0.829536D+01  0.913305D+01 -0.857275D+01  0.138562D+01  0.934628D+01
      4   0.125218D+02  0.274981D+02 -0.333138D+02 -0.251231D+02  0.229253D+02
      5   0.221836D+02  0.179246D+02 -0.272155D+02 -0.280021D+02  0.370994D+02
      6  -0.546036D+01 -0.823059D+01  0.238373D+02  0.260282D+02 -0.139382D+02
               116           117           118           119           120 
      1  -0.489379D+01 -0.454652D+01  0.686795D+01 -0.369472D+01  0.122692D+02
      2   0.505507D+01 -0.152714D+02 -0.657032D+01  0.768462D+01 -0.808839D+01
      3  -0.161280D+00  0.198179D+02 -0.297635D+00 -0.398990D+01 -0.418080D+01
      4  -0.297574D+02 -0.266356D+02  0.114555D+01 -0.760354D+01 -0.315783D+01
      5  -0.295200D+02 -0.686089D+02  0.110170D+02  0.110184D+01  0.727568D+01
      6   0.262646D+02  0.358700D+02 -0.391097D+01 -0.167784D+01 -0.137431D+01
               121           122           123           124           125 
      1   0.209476D+01 -0.598467D+01  0.365124D+01  0.155083D+02  0.147762D+01
      2   0.780849D+01 -0.125996D+02 -0.141987D+01 -0.871422D+01 -0.288018D+01
      3  -0.990325D+01  0.185842D+02 -0.223137D+01 -0.679406D+01  0.140256D+01
      4  -0.161240D+02  0.421111D+02  0.198795D+01 -0.948535D+01  0.126676D+02
      5   0.116869D+01  0.171401D+01 -0.154286D+01  0.166431D+02 -0.110672D+02
      6  -0.352105D+01  0.219748D+01  0.719926D+01 -0.431576D+01  0.129853D+02
               126           127           128           129           130 
      1  -0.120639D+01 -0.659274D+00 -0.216005D+00  0.344812D+01 -0.295107D+01
      2  -0.689489D+01 -0.567504D+01 -0.120001D+01  0.555628D+01 -0.600313D+00
      3   0.810128D+01  0.633432D+01  0.141602D+01 -0.900440D+01  0.355138D+01
      4  -0.103935D+02  0.569355D+00  0.222530D+01 -0.742833D+00  0.105643D+01
      5   0.308049D+02 -0.970401D+01 -0.259818D+01  0.121077D+02 -0.292377D+01
      6  -0.165161D+02  0.269333D+00 -0.184999D+01 -0.643537D+00 -0.117693D+01
               131           132           133           134           135 
      1  -0.359390D+01  0.755084D+01  0.383745D+01  0.454269D+01 -0.242681D+02
      2  -0.623341D+00  0.314587D+01  0.683159D+01  0.194135D+01 -0.149286D+02
      3   0.421724D+01 -0.106967D+02 -0.106690D+02 -0.648404D+01  0.391968D+02
      4   0.104995D+01 -0.144109D+01 -0.211989D+01 -0.340256D+01  0.168316D+01
      5  -0.287818D+01  0.445886D+01  0.122318D+02  0.406660D+01 -0.196813D+02
      6  -0.295092D+01  0.214735D+01  0.909300D+00  0.544693D+01 -0.226649D+01
               136           137           138           139           140 
      1   0.572781D+01 -0.781734D-01 -0.103968D+01  0.502641D+00 -0.122932D+01
      2  -0.687342D+01  0.937168D+00 -0.481556D+01  0.204918D+01 -0.688232D+00
      3   0.114562D+01 -0.858994D+00  0.585524D+01 -0.255182D+01  0.191755D+01
      4  -0.174622D+01  0.425852D+01 -0.108507D+01  0.359393D+01 -0.343733D+01
      5   0.130687D+02 -0.291768D+01  0.107794D+02 -0.470995D+01  0.340787D+01
      6  -0.353859D+00  0.195323D+01 -0.742099D+00  0.117362D+01 -0.291956D+01
               141           142           143           144           145 
      1   0.496699D+01 -0.395037D+01  0.406533D+01 -0.130608D+02 -0.273301D+01
      2   0.264286D+01 -0.607188D+01  0.126318D+01 -0.941320D+01 -0.271754D+01
      3  -0.760986D+01  0.100222D+02 -0.532851D+01  0.224740D+02  0.545055D+01
      4   0.150008D+01 -0.151682D+01  0.292170D+01 -0.234445D+01  0.552366D+01
      5  -0.602852D+01  0.132908D+02 -0.430430D+01  0.169804D+02 -0.930357D+01
      6   0.200729D+01 -0.168509D+01  0.470452D+01 -0.341848D+01 -0.606409D+01
               146           147           148           149           150 
      1  -0.197583D+01  0.542781D+01 -0.273477D+01 -0.481244D+01  0.864395D+01
      2   0.552333D+00  0.275786D+01 -0.454223D+00  0.779119D+00  0.345719D+00
      3   0.142349D+01 -0.818567D+01  0.318899D+01  0.403332D+01 -0.898967D+01
      4   0.389267D+01 -0.545051D+01  0.245449D+01  0.194052D+01 -0.303693D+01
      5  -0.355753D+01  0.118060D+02 -0.359792D+01 -0.285417D+01  0.438365D+01
      6  -0.371765D+01  0.632396D+01 -0.327156D+01 -0.532681D+01  0.886894D+01
               151           152           153           154           155 
      1   0.775424D+01  0.107734D+02 -0.292150D+02  0.223817D+01  0.245641D+01
      2   0.208711D+01 -0.301057D+01 -0.551304D+01 -0.335272D+01 -0.226147D+01
      3  -0.984134D+01 -0.776283D+01  0.347280D+02  0.111455D+01 -0.194935D+00
      4  -0.570567D+01 -0.535532D+01  0.801329D+01 -0.103455D+02  0.714882D+01
      5   0.110073D+02  0.533599D+01 -0.176069D+02  0.156176D+02 -0.573994D+01
      6   0.860111D+01  0.126707D+02 -0.233045D+02 -0.906003D+01  0.574627D+01
               156           157           158           159           160 
      1  -0.191792D+01  0.497376D+00 -0.369176D+01  0.561417D+01 -0.420322D+01
      2  -0.247808D+01  0.800410D+00  0.176428D+01 -0.617362D-02 -0.275572D+01
      3   0.439600D+01 -0.129779D+01  0.192748D+01 -0.560800D+01  0.695894D+01
      4  -0.817277D+01  0.518650D+01 -0.535756D+01  0.569715D+01 -0.869029D+01
      5   0.140965D+02 -0.698514D+01  0.502889D+01 -0.769049D+01  0.153874D+02
      6  -0.869423D+01  0.531554D+01 -0.611796D+01  0.851998D+01 -0.104708D+02
               161           162           163           164           165 
      1   0.812863D+01 -0.162856D+02  0.723730D+01 -0.326841D-01 -0.827109D+01
      2  -0.343187D+01 -0.300360D+01 -0.783698D+01 -0.444112D+00  0.694457D+01
      3  -0.469677D+01  0.192892D+02  0.599687D+00  0.476796D+00  0.132652D+01
      4   0.723541D+01 -0.108211D+02 -0.234489D+01  0.708037D+01  0.427441D+01
      5  -0.765418D+01  0.209123D+02 -0.147604D+02  0.270845D+01  0.152956D+02
      6   0.116388D+02 -0.188803D+02  0.240939D+01 -0.141333D+01 -0.229227D+01
               166           167           168           169           170 
      1   0.762747D+01  0.187375D+01 -0.200085D+01 -0.148599D+02 -0.295712D+01
      2  -0.496576D+01 -0.733357D+00  0.128259D+01  0.135284D+02  0.333032D+00
      3  -0.266171D+01 -0.114039D+01  0.718260D+00  0.133159D+01  0.262409D+01
      4   0.783476D+01 -0.446485D+01 -0.494301D+01  0.587810D+01 -0.829242D+01
      5  -0.494663D+00 -0.518066D+01  0.734737D+00  0.226937D+02 -0.855681D+01
      6  -0.163083D+01  0.150472D+01  0.539269D+01 -0.529972D+01  0.657470D+01
               171           172           173           174           175 
      1  -0.458891D+01  0.211802D+02 -0.940159D+01  0.412371D+01 -0.140067D+02
      2  -0.138066D+02 -0.387050D+01 -0.351527D+00 -0.987327D+00 -0.306974D+01
      3   0.183955D+02 -0.173097D+02  0.975312D+01 -0.313639D+01  0.170764D+02
      4  -0.115212D+02 -0.221930D+02  0.243883D+02 -0.215435D+01  0.352272D+02
      5  -0.453552D+02  0.538762D+01 -0.927537D+00  0.524460D+01 -0.171668D+01
      6   0.122944D+02 -0.149156D+01  0.860992D-01 -0.131133D+01  0.966344D+00
               176           177           178           179           180 
      1   0.394427D+00  0.468223D+00  0.189172D+02  0.108529D+01  0.192409D+01
      2   0.214402D+02 -0.284056D+01 -0.547937D+01 -0.475384D+01 -0.324305D+00
      3  -0.218346D+02  0.237234D+01 -0.134378D+02  0.366856D+01 -0.159978D+01
      4  -0.525506D+02  0.718013D+01 -0.954538D+01  0.166296D+02 -0.946677D+01
      5   0.657610D+01 -0.575359D+01  0.976756D+01 -0.816307D+01  0.268046D+01
      6  -0.213506D+01  0.472281D+01 -0.375091D+01  0.579059D+01 -0.239999D+01
               181           182           183           184           185 
      1  -0.125466D+01 -0.219317D+01  0.123302D+02 -0.713744D+01 -0.116128D+02
      2  -0.339720D+01  0.461539D-01 -0.347516D+01  0.274620D+01  0.517018D+01
      3   0.465187D+01  0.214702D+01 -0.885501D+01  0.439124D+01  0.644261D+01
      4  -0.399796D+01 -0.385628D+01  0.272353D+00 -0.322479D+01  0.110491D+01
      5   0.808284D+01 -0.139944D+00 -0.231551D+01  0.100386D+01  0.464648D+01
      6   0.162925D+01  0.961961D-01 -0.160633D+01 -0.485370D+00  0.315638D+00
               186           187           188           189           190 
      1  -0.405243D+00  0.208010D+02 -0.467201D+00 -0.252157D+02 -0.564435D+02
      2   0.940480D+00 -0.873582D+01  0.110452D+01 -0.877836D+01  0.328093D+02
      3  -0.535236D+00 -0.120652D+02 -0.637321D+00  0.339940D+02  0.236342D+02
      4   0.420737D+01  0.167836D+01  0.573443D+01 -0.182444D+01 -0.178813D+02
      5  -0.648854D-01 -0.116329D+01 -0.355246D+00  0.516592D+02  0.288166D+01
      6   0.688658D+01 -0.401550D+00  0.355371D+01  0.721766D+01  0.258732D+01
               191           192           193           194           195 
      1   0.143985D+02  0.214481D+01  0.633033D+01 -0.102906D+02 -0.819662D+00
      2  -0.144038D+02 -0.804856D+00 -0.743731D+01  0.952141D+01  0.179440D+01
      3   0.530744D-02 -0.133995D+01  0.110697D+01  0.769150D+00 -0.974735D+00
      4  -0.336337D+01  0.233350D+01  0.160742D+01 -0.629594D+00  0.242277D+01
      5   0.120229D+01 -0.141639D+01  0.394794D-01  0.281549D+01  0.722084D+00
      6   0.430774D+00 -0.338712D+01  0.901661D+00  0.152964D+01  0.204314D+01
               196           197           198           199           200 
      1   0.368670D+01 -0.255138D+01 -0.566850D+01  0.206039D+01  0.212658D+01
      2  -0.117365D+01  0.347459D+01  0.223407D+01 -0.173286D+01  0.139670D+01
      3  -0.251305D+01 -0.923216D+00  0.343444D+01 -0.327536D+00 -0.352328D+01
      4   0.125255D+01  0.412462D+01  0.184180D+01  0.618785D+01  0.960156D+01
      5   0.108481D+01  0.296961D+01 -0.336094D+01 -0.109887D+02 -0.346068D+01
      6  -0.230964D+01  0.362808D+01 -0.142920D+01 -0.425559D+01 -0.203526D+01
               201           202           203           204           205 
      1  -0.767601D+01 -0.523755D+00 -0.123486D+00  0.294193D+01 -0.111946D+02
      2   0.589371D+01  0.244430D+01  0.168791D+01 -0.293986D+01  0.807477D+01
      3   0.178231D+01 -0.192054D+01 -0.156443D+01 -0.207114D-02  0.311983D+01
      4  -0.568923D+01  0.680529D+01  0.730481D+01 -0.566615D+01 -0.885334D+01
      5   0.144231D+02 -0.605164D+00 -0.607047D+01  0.348089D+01  0.163575D+02
      6   0.564606D+01 -0.165782D+01 -0.350525D+01  0.788455D+01  0.767483D+01
               206           207           208           209           210 
      1   0.558616D+01 -0.645729D+01  0.128969D+02  0.100853D+02  0.558649D+01
      2  -0.524736D+01 -0.904923D+01  0.274274D+01  0.766286D+01 -0.119114D+00
      3  -0.338800D+00  0.155065D+02 -0.156397D+02 -0.177481D+02 -0.546738D+01
      4  -0.132906D+02  0.170886D+02  0.272635D+02  0.339564D+02  0.846683D+01
      5   0.145526D+02 -0.510468D+02  0.803402D+01  0.593836D+01  0.904807D+01
      6   0.128129D+02 -0.293851D+02  0.525468D+01  0.466338D+01  0.620021D+01
               211           212           213           214           215 
      1   0.926153D+01 -0.350664D+01 -0.132760D+01  0.919678D+01 -0.254709D+01
      2   0.900753D+01  0.338513D+02  0.856625D+01 -0.115375D+00  0.130536D+02
      3  -0.182691D+02 -0.303447D+02 -0.723865D+01 -0.908140D+01 -0.105065D+02
      4   0.345961D+02  0.594451D+02  0.161647D+02  0.157730D+02  0.275222D+02
      5   0.685370D+01  0.145970D+02  0.106576D+02  0.115995D+02  0.145656D+02
      6   0.581287D+01  0.131785D+02  0.102943D+02  0.778877D+01  0.129427D+02
               216           217           218           219           220 
      1   0.118586D+01  0.287200D+02  0.107332D+01 -0.213517D+02  0.323184D+01
      2   0.271433D+01 -0.167459D+02 -0.303023D+00  0.120887D+02 -0.122325D+01
      3  -0.390019D+01 -0.119742D+02 -0.770302D+00  0.926295D+01 -0.200858D+01
      4   0.165452D+02  0.209945D+01  0.888519D+01  0.374207D+00  0.156280D+02
      5   0.922750D+01 -0.224358D+02  0.870703D+00  0.248662D+02  0.418619D+00
      6   0.836863D+01 -0.509867D+00  0.218352D+00  0.495646D+00 -0.805406D+00
               221           222           223           224           225 
      1   0.112789D+02  0.919660D+00 -0.485129D+02  0.188596D+01  0.304143D+02
      2  -0.570518D+01 -0.823940D+00  0.284460D+02 -0.157245D+01 -0.238965D+02
      3  -0.557370D+01 -0.957207D-01  0.200669D+02 -0.313503D+00 -0.651782D+01
      4  -0.170581D+01 -0.525297D+01  0.793017D-01 -0.106294D+02  0.828349D+00
      5  -0.505050D+01  0.809488D+00  0.437043D+02 -0.191919D+00 -0.712101D+02
      6  -0.569606D+00  0.423376D+01  0.180710D+01  0.421738D+01 -0.240691D+01
               226           227           228           229           230 
      1   0.260602D+02 -0.212754D+02  0.107970D+02 -0.425523D+02  0.300969D+02
      2  -0.126561D+02  0.102260D+02 -0.588089D+01  0.209131D+02 -0.101175D+02
      3  -0.134041D+02  0.110494D+02 -0.491607D+01  0.216392D+02 -0.199794D+02
      4  -0.220263D+02  0.244752D+02 -0.732882D+01  0.412259D+02 -0.646448D+02
      5   0.127097D+02 -0.822509D+01  0.122051D+02 -0.149910D+02  0.251402D+02
      6  -0.273595D+01  0.215904D+01 -0.104332D+01  0.471578D+01 -0.752738D+01
               231           232           233           234           235 
      1  -0.906431D+01  0.207353D+02 -0.777234D+01  0.143726D+02  0.585272D+02
      2   0.575634D+01 -0.117604D+02  0.510225D+01 -0.104009D+02 -0.282496D+02
      3   0.330797D+01 -0.897489D+01  0.267010D+01 -0.397167D+01 -0.302776D+02
      4   0.234808D+02 -0.117137D+02  0.246837D+02 -0.154757D+02  0.339029D+02
      5  -0.195407D+02  0.221901D+02 -0.168049D+02  0.148159D+02  0.247346D+02
      6   0.609053D+01 -0.243208D+01  0.634979D+01 -0.438620D+01  0.551469D+01
               236           237           238           239           240 
      1   0.279182D+02  0.194669D+02  0.554058D+02  0.306110D+02  0.134162D+02
      2  -0.123831D+02 -0.104917D+02 -0.244173D+02 -0.888767D+01 -0.668005D+01
      3  -0.155350D+02 -0.897517D+01 -0.309885D+02 -0.217234D+02 -0.673611D+01
      4   0.279793D+02  0.120172D+02  0.472881D+02  0.447583D+02  0.229929D+02
      5   0.125070D+02  0.201317D+02  0.224548D+02  0.237825D+02  0.212357D+02
      6   0.326698D+01  0.302444D+01  0.729462D+01  0.777374D+01  0.694388D+01
               241           242           243           244           245 
      1   0.351609D+02  0.113165D+02  0.211637D+02  0.231881D+01  0.386923D+01
      2  -0.190936D+02 -0.555696D+01 -0.139040D+02 -0.373029D+01 -0.207935D+01
      3  -0.160673D+02 -0.575953D+01 -0.725970D+01  0.141147D+01 -0.178988D+01
      4   0.189617D+02  0.240773D+02  0.169692D+02  0.662070D+01  0.726057D+01
      5   0.331699D+02  0.174689D+02  0.215298D+02 -0.115120D+02 -0.297154D+01
      6   0.604214D+01  0.700443D+01  0.622397D+01 -0.474969D+01 -0.767821D+00
               246           247           248           249           250 
      1  -0.638010D+01  0.438005D+01 -0.829962D-01  0.201987D+01 -0.818471D+01
      2   0.470016D+01 -0.200438D+01  0.126224D+01 -0.148404D+01  0.739051D+01
      3   0.167994D+01 -0.237567D+01 -0.117924D+01 -0.535828D+00  0.794197D+00
      4  -0.397961D+01  0.109352D+02  0.738310D+01 -0.829094D+01 -0.606804D+01
      5   0.123766D+02 -0.385474D+01 -0.846983D+01  0.113467D+02  0.165498D+02
      6   0.271130D+01 -0.227310D+01 -0.632583D+01  0.832398D+01  0.438423D+01
               251           252           253           254           255 
      1   0.230281D+01 -0.437105D+01 -0.880515D+02 -0.910032D+01  0.696483D+01
      2   0.552618D+00 -0.916348D+01  0.436428D+02  0.134052D+02 -0.495743D+01
      3  -0.285543D+01  0.135345D+02  0.444088D+02 -0.430488D+01 -0.200739D+01
      4  -0.107457D+02  0.113400D+02 -0.142244D+02  0.253599D+02  0.108705D+02
      5   0.101186D+02 -0.359180D+02  0.103224D+02  0.782590D+01  0.143671D+02
      6   0.786026D+01 -0.133548D+02  0.849022D+01  0.653992D+01  0.534008D+01
               256           257           258           259           260 
      1   0.105608D+02  0.370760D+02  0.296563D+01  0.278681D+02  0.350789D+01
      2  -0.646713D+00 -0.400399D+02 -0.719946D+01 -0.120564D+02 -0.332738D+01
      3  -0.991411D+01  0.296391D+01  0.423384D+01 -0.158116D+02 -0.180504D+00
      4   0.280299D+02 -0.264305D+02  0.582469D+01  0.206752D+02  0.150627D+02
      5   0.120431D+02  0.872792D+01  0.190056D+02  0.206534D+02  0.207998D+02
      6   0.694125D+01 -0.408091D+01  0.638693D+01  0.901564D+01  0.854602D+01
               261           262           263           264           265 
      1   0.158252D+02  0.791565D+01 -0.866127D+01  0.255755D+01 -0.799856D+01
      2   0.623476D+01  0.118880D+01 -0.929526D+00 -0.208046D+00 -0.719168D+01
      3  -0.220600D+02 -0.910445D+01  0.959080D+01 -0.234950D+01  0.151902D+02
      4   0.243301D+02 -0.147893D+02  0.183811D+02 -0.391745D+01  0.287959D+02
      5  -0.192595D+02  0.520118D+01 -0.428131D+01  0.375749D+01 -0.726865D+01
      6  -0.294374D+01 -0.319426D+01  0.310536D+01 -0.149264D+01  0.553047D+01
               266           267           268           269           270 
      1  -0.228692D+01  0.103364D+00  0.287021D+00  0.120963D+01 -0.402966D+00
      2   0.295211D+02 -0.460191D+01 -0.186235D+01  0.299573D+01  0.126321D+01
      3  -0.272342D+02  0.449855D+01  0.157533D+01 -0.420536D+01 -0.860246D+00
      4  -0.595106D+02  0.118701D+02  0.195201D+01 -0.350936D+01 -0.424235D+01
      5   0.128654D+02 -0.102770D+02  0.321155D+01 -0.423592D+01  0.401330D+01
      6  -0.127961D+02  0.713859D+01 -0.177319D+01  0.426580D+01 -0.258883D+01
               271           272           273           274           275 
      1   0.523534D+01 -0.618814D+00  0.627200D+01 -0.737283D+01 -0.670333D+01
      2  -0.604153D+01 -0.110335D+01 -0.229722D+01  0.336757D+01  0.294504D+01
      3   0.806193D+00  0.172216D+01 -0.397477D+01  0.400526D+01  0.375829D+01
      4  -0.198773D+01 -0.370597D+01  0.651917D-01 -0.386375D+01 -0.431636D+01
      5   0.384183D+01 -0.163905D+01  0.630905D-01 -0.442360D+01  0.387576D+01
      6  -0.306483D+00 -0.156659D+01 -0.112627D+01 -0.988616D+00 -0.476255D+00
               276           277           278           279           280 
      1  -0.289863D+00  0.103670D+02 -0.831883D-01 -0.122997D+02  0.134000D+03
      2   0.518889D+01 -0.678889D+01  0.441183D+01 -0.161084D+02 -0.634013D+02
      3  -0.489902D+01 -0.357807D+01 -0.432864D+01  0.284081D+02 -0.705991D+02
      4   0.431561D+01  0.440714D+01  0.836802D+01 -0.416589D+01  0.445939D+02
      5  -0.990421D+01  0.100509D+02 -0.303770D+01  0.446828D+02  0.113512D+02
      6   0.106264D+01  0.149399D+01  0.354476D+01  0.128476D+02 -0.404839D+00
               281           282           283           284           285 
      1   0.119877D+02 -0.640175D+00 -0.400257D+01  0.800190D+01 -0.180543D+00
      2  -0.235191D+01 -0.640594D+00  0.515693D+01 -0.354293D+00  0.540147D+00
      3  -0.963576D+01  0.128077D+01 -0.115436D+01 -0.764761D+01 -0.359604D+00
      4   0.186350D+02  0.109929D+01  0.143440D+02  0.743138D+01 -0.104953D+01
      5   0.182513D+01  0.132548D+02 -0.108146D+01 -0.657683D+00 -0.220349D+01
      6   0.179418D+01  0.376128D+01  0.690512D+00  0.529258D+00  0.208263D+00
               286           287           288           289           290 
      1  -0.156477D+02 -0.165288D+01  0.954963D+01  0.822614D+00  0.148516D+02
      2   0.606004D+01 -0.959891D-01 -0.699714D+01  0.323070D+01 -0.146552D+02
      3   0.958763D+01  0.174886D+01 -0.255249D+01 -0.405331D+01 -0.196443D+00
      4  -0.681958D+01 -0.481328D+01  0.139135D+01  0.483230D+01 -0.667130D+01
      5   0.130067D+02 -0.560960D+00 -0.213175D+00 -0.196132D+01 -0.542522D+00
      6   0.345243D+01  0.638333D+00 -0.506523D+00  0.507284D-02 -0.296942D+01
               291           292           293           294           295 
      1   0.344881D+00  0.116082D+02 -0.339141D+02 -0.316523D+01 -0.413642D+01
      2  -0.315882D+00 -0.466211D+01  0.554745D+02  0.343085D+01  0.133690D+01
      3  -0.289991D-01 -0.694604D+01 -0.215604D+02 -0.265617D+00  0.279952D+01
      4  -0.231051D+01  0.103492D+02  0.601742D+02  0.617550D+01 -0.306917D+01
      5  -0.291884D+01  0.290466D+01  0.344749D+01  0.689859D+01 -0.418348D+00
      6  -0.259811D+01  0.380315D+00  0.122062D+02  0.764731D+01 -0.567485D+00
               296           297 
      1  -0.130051D+01 -0.639349D+01
      2  -0.127682D+01  0.461278D+01
      3   0.257733D+01  0.178070D+01
      4  -0.341085D+01  0.403326D+01
      5   0.503716D+01  0.254824D+01
      6   0.712989D+01  0.156783D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.697874D+00      0.177382D+01      0.591682D+01
   x          0.314295D+00      0.798859D+00      0.266471D+01
   y         -0.273839D+00     -0.696028D+00     -0.232170D+01
   z         -0.559695D+00     -0.142260D+01     -0.474529D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159807D+03      0.236809D+02      0.263486D+02
   aniso      0.735947D+02      0.109056D+02      0.121341D+02
   xx         0.207575D+03      0.307594D+02      0.342245D+02
   yx        -0.191561D+01     -0.283864D+00     -0.315841D+00
   yy         0.129422D+03      0.191783D+02      0.213388D+02
   zx        -0.116276D+00     -0.172304D-01     -0.191714D-01
   zy        -0.693532D+01     -0.102771D+01     -0.114348D+01
   zz         0.142424D+03      0.211050D+02      0.234825D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170895D+03      0.253240D+02      0.281767D+02
   aniso      0.765721D+02      0.113468D+02      0.126250D+02
   xx         0.220678D+03      0.327011D+02      0.363849D+02
   yx        -0.157391D+01     -0.233230D+00     -0.259503D+00
   yy         0.139115D+03      0.206147D+02      0.229370D+02
   zx        -0.507287D+00     -0.751722D-01     -0.836403D-01
   zy        -0.674226D+01     -0.999099D+00     -0.111165D+01
   zz         0.152890D+03      0.226560D+02      0.252082D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.01113142         -0.48796070          2.68194430
     6          2.18577460          0.85921540          2.13610506
     6         -2.17298501         -0.22171621          1.22050069
     6         -2.20464242          1.41359539         -0.84375156
     6         -0.01251463          2.76120003         -1.39958082
     6          2.14316600          2.49281692          0.06992307
     6          4.55740417          0.51810717          3.66689604
     6          6.58407700         -1.11079587          2.35334701
     6          5.64182101         -3.79240573          1.85082645
     6          9.01212866         -1.13788945          3.91521417
     6         -4.54729734          1.75499155         -2.46941037
     6         -5.00549515         -0.62014795         -4.01224126
     8         -4.40222247         -0.89932027         -6.18587931
     8         -6.16276069         -2.46814925         -2.66942818
     1         -0.02734429         -1.77272989          4.27593174
     1         -3.83935618         -1.31172126          1.68212836
     1          0.00382418          4.03911533         -2.99853562
     1          3.81925624          3.57340864         -0.39658763
     1          4.09077003         -0.34668748          5.48595917
     1          5.37615292          2.36956171          4.08350734
     1          6.99942787         -0.22637568          0.52780470
     1          3.94906726         -3.79440587          0.67629834
     1          5.18272798         -4.74723111          3.62613111
     1          7.08598819         -4.91060593          0.89182207
     1          8.68084068         -1.99438356          5.76666274
     1          9.73060771          0.77200780          4.22417684
     1         10.48902195         -2.22990680          2.97567967
     1         -4.12653570          3.20224281         -3.87189263
     6         -6.87498291          2.55788381         -0.94305434
     1         -6.30826449         -3.91712988         -3.78230505
     1         -7.36543654          1.15237607          0.47584569
     1         -8.50749853          2.82104536         -2.17501837
     1         -6.48531872          4.33980441          0.01453393

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.697874D+00      0.177382D+01      0.591682D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.697874D+00      0.177382D+01      0.591682D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159807D+03      0.236809D+02      0.263486D+02
   aniso      0.735947D+02      0.109056D+02      0.121341D+02
   xx         0.192570D+03      0.285359D+02      0.317505D+02
   yx        -0.376469D+00     -0.557869D-01     -0.620713D-01
   yy         0.136818D+03      0.202744D+02      0.225583D+02
   zx         0.289520D+02      0.429025D+01      0.477355D+01
   zy        -0.108768D+02     -0.161178D+01     -0.179335D+01
   zz         0.150032D+03      0.222325D+02      0.247370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170895D+03      0.253240D+02      0.281767D+02
   aniso      0.765721D+02      0.113468D+02      0.126250D+02
   xx         0.204870D+03      0.303585D+02      0.337784D+02
   yx        -0.100816D+01     -0.149394D+00     -0.166223D+00
   yy         0.146616D+03      0.217263D+02      0.241738D+02
   zx         0.300813D+02      0.445758D+01      0.495973D+01
   zy        -0.113863D+02     -0.168728D+01     -0.187735D+01
   zz         0.161198D+03      0.238870D+02      0.265779D+02

 ----------------------------------------------------------------------
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 YOU KNOW YOU'RE A TEACHER WHEN YOU SAY 2, WRITE 3, AND MEAN 4.
 -- RONALD ANSTROM, HIGH SCHOOL TEACHER, UNDERWOOD, N.D. 1974
 Job cpu time:       1 days 15 hours  1 minutes 30.3 seconds.
 Elapsed time:       0 days  4 hours 52 minutes 49.2 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 17:22:29 2021.
